N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine

C21H27N7 — CID 141033321

IUPACN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine
SMILESNC1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC=N4)cc2)C1
InChIInChI=1S/C21H27N7/c22-15-9-11-27(14-15)17-7-5-16(6-8-17)25-21-24-13-19-20(26-21)28(12-10-23-19)18-3-1-2-4-18/h5-8,10,13,15,18H,1-4,9,11-12,14,22H2,(H,24,25,26)
InChIKeySIRLRPPWIWHNNG-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.22
Rot. Bonds4

About N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine (PubChem CID 141033321) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine
PubChem CID141033321
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine
SMILESNC1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC=N4)cc2)C1
InChIInChI=1S/C21H27N7/c22-15-9-11-27(14-15)17-7-5-16(6-8-17)25-21-24-13-19-20(26-21)28(12-10-23-19)18-3-1-2-4-18/h5-8,10,13,15,18H,1-4,9,11-12,14,22H2,(H,24,25,26)
InChIKeySIRLRPPWIWHNNG-UHFFFAOYSA-N
XLogP3.22
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-4-aminopyrimidine-5-carbonitrile
CID 167855839
7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 70951109
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
1-cyclopentyl-7-[4-(3-hydroxypiperidin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 68860000
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
CID 10127168
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
8-cyclopentyl-2-[4-(4-hydroxypiperidin-1-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 175313511
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
CID 91223873
1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine?
The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine (CID 141033321) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine.
What is the SMILES notation for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine?
The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine is NC1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC=N4)cc2)C1.
What is the InChIKey of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine?
The InChIKey is SIRLRPPWIWHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c22-15-9-11-27(14-15)17-7-5-16(6-8-17)25-21-24-13-19-20(26-21)28(12-10-23-19)18-3-1-2-4-18/h5-8,10,13,15,18H,1-4,9,11-12,14,22H2,(H,24,25,26).
What are the key properties of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine?
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine has a molecular weight of 377.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7H-pteridin-2-amine is sourced from PubChem (CID 141033321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).