4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C25H33N6OP — CID 166863265

IUPAC4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(P2CCN(C3CC3)CC2)ccc1Nc1nc(NC2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C25H33N6OP/c1-32-22-16-19(33-14-12-31(13-15-33)18-6-7-18)8-9-21(22)28-25-29-23-20(10-11-26-23)24(30-25)27-17-4-2-3-5-17/h8-11,16-18H,2-7,12-15H2,1H3,(H3,26,27,28,29,30)
InChIKeyYRPOHOGIDBWERD-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.65
Rot. Bonds7

About 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 166863265) has the molecular formula C25H33N6OP and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID166863265
Molecular FormulaC25H33N6OP
Molecular Weight464.55 g/mol
Exact Mass464.25
IUPAC Name4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(P2CCN(C3CC3)CC2)ccc1Nc1nc(NC2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C25H33N6OP/c1-32-22-16-19(33-14-12-31(13-15-33)18-6-7-18)8-9-21(22)28-25-29-23-20(10-11-26-23)24(30-25)27-17-4-2-3-5-17/h8-11,16-18H,2-7,12-15H2,1H3,(H3,26,27,28,29,30)
InChIKeyYRPOHOGIDBWERD-UHFFFAOYSA-N
XLogP4.65
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclobutyl-2-N-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16657449
4-N-cyclohexyl-2-N-(4-hydroperoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 126710802
4-N-(cyclopentylmethyl)-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648982
5-chloro-4-N-cyclopentyl-2-N-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164996898
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
CID 91243419
4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenol;ethane;fluoromethane
CID 143436974
6-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-4-N-ethyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154997487
6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-7H-purin-9-ium-2,6-diamine
CID 123442240
4-N-cyclopropyl-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 140936168
2-N-(2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648808
4-(cyclohexylamino)-2-(2-methoxy-4-methylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 154649051
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 166863265) is 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1cc(P2CCN(C3CC3)CC2)ccc1Nc1nc(NC2CCCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YRPOHOGIDBWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N6OP/c1-32-22-16-19(33-14-12-31(13-15-33)18-6-7-18)8-9-21(22)28-25-29-23-20(10-11-26-23)24(30-25)27-17-4-2-3-5-17/h8-11,16-18H,2-7,12-15H2,1H3,(H3,26,27,28,29,30).
What are the key properties of 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 464.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-[4-(1-cyclopropyl-1,4-azaphosphinan-4-yl)-2-methoxyphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166863265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).