4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine

C21H29N7O — CID 143049590

IUPAC4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCC3)n1)NCCN2
InChIInChI=1S/C21H29N7O/c1-2-4-15(3-1)24-20-18-19(23-10-9-22-18)26-21(27-20)25-16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15,22H,1-4,9-14H2,(H3,23,24,25,26,27)
InChIKeyNOQZUXZJIGNYDC-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.25
Rot. Bonds5

About 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine

4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine (PubChem CID 143049590) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
PubChem CID143049590
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
SMILESc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCC3)n1)NCCN2
InChIInChI=1S/C21H29N7O/c1-2-4-15(3-1)24-20-18-19(23-10-9-22-18)26-21(27-20)25-16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15,22H,1-4,9-14H2,(H3,23,24,25,26,27)
InChIKeyNOQZUXZJIGNYDC-UHFFFAOYSA-N
XLogP3.25
TPSA86.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine
CID 159894496
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-(thiophen-2-ylmethylideneamino)pyrimidine-2,4-diamine
CID 164619227
6-N-[(4S)-dithian-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 146282299
6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
CID 158553885
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
4-N-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 175393899
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine (CID 143049590) is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine is c1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCC3)n1)NCCN2.
What is the InChIKey of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine?
The InChIKey is NOQZUXZJIGNYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-2-4-15(3-1)24-20-18-19(23-10-9-22-18)26-21(27-20)25-16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15,22H,1-4,9-14H2,(H3,23,24,25,26,27).
What are the key properties of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine?
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine has a molecular weight of 395.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine is sourced from PubChem (CID 143049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).