N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

C25H35N5 — CID 167460913

IUPACN-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CCCCCNCCc2ccccc2)C1
InChIInChI=1S/C25H35N5/c1-26-24-23-14-17-30(25(23)29-19-28-24)22-12-11-21(18-22)10-6-3-7-15-27-16-13-20-8-4-2-5-9-20/h2,4-5,8-9,14,17,19,21-22,27H,3,6-7,10-13,15-16,18H2,1H3,(H,26,28,29)
InChIKeyIFEKUVNUFSQRRE-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.21
Rot. Bonds11

About N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167460913) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167460913
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC NameN-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CCCCCNCCc2ccccc2)C1
InChIInChI=1S/C25H35N5/c1-26-24-23-14-17-30(25(23)29-19-28-24)22-12-11-21(18-22)10-6-3-7-15-27-16-13-20-8-4-2-5-9-20/h2,4-5,8-9,14,17,19,21-22,27H,3,6-7,10-13,15-16,18H2,1H3,(H,26,28,29)
InChIKeyIFEKUVNUFSQRRE-UHFFFAOYSA-N
XLogP5.21
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-7-[3-[2-(2-phenylethylamino)ethylsulfinylmethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462051
N'-[[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl]-N-[2-(3-phenylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 167460586
N'-(cyclopropylmethyl)-N'-[[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]methyl]-N-[2-(3-phenoxyphenyl)ethyl]propane-1,3-diamine
CID 167462060
(1R,2S,3R,5S)-3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[3-(2-phenylethylamino)propylsulfanylmethyl]cyclopentane-1,2-diol
CID 167460810
N-(cyclopropylmethyl)-7-[2-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 166776430
(1S,2S,4R)-2-hydroxy-4-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-[2-(3-phenoxyphenyl)ethylamino]ethyl]cyclopentane-1-carboxamide
CID 167462144
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
N'-[[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 167461823
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
4-[3-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]phenol
CID 167462105
N-(cyclopropylmethyl)-7-[2-[3-[4-(2-methylhydrazinyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]ethyl]quinolin-2-amine
CID 155175220
CID 155732209
CID 155732209

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 167460913) is N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is CNc1ncnc2c1ccn2C1CCC(CCCCCNCCc2ccccc2)C1.
What is the InChIKey of N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IFEKUVNUFSQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5/c1-26-24-23-14-17-30(25(23)29-19-28-24)22-12-11-21(18-22)10-6-3-7-15-27-16-13-20-8-4-2-5-9-20/h2,4-5,8-9,14,17,19,21-22,27H,3,6-7,10-13,15-16,18H2,1H3,(H,26,28,29).
What are the key properties of N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 405.59 g/mol, XLogP of 5.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[3-[5-(2-phenylethylamino)pentyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167460913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).