4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine

C19H26N6O — CID 58786809

IUPAC4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C19H26N6O/c20-17-13-21-19(24-18(17)22-14-3-1-2-4-14)23-15-5-7-16(8-6-15)25-9-11-26-12-10-25/h5-8,13-14H,1-4,9-12,20H2,(H2,21,22,23,24)
InChIKeyCEUHFSAIWFAHQG-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.99
Rot. Bonds5

About 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine

4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine (PubChem CID 58786809) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
PubChem CID58786809
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1
InChIInChI=1S/C19H26N6O/c20-17-13-21-19(24-18(17)22-14-3-1-2-4-14)23-15-5-7-16(8-6-15)25-9-11-26-12-10-25/h5-8,13-14H,1-4,9-12,20H2,(H2,21,22,23,24)
InChIKeyCEUHFSAIWFAHQG-UHFFFAOYSA-N
XLogP2.99
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
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

4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
CID 143049590
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-(thiophen-2-ylmethylideneamino)pyrimidine-2,4-diamine
CID 164619227
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003
butyl N-[1-[4-[[5-amino-4-(cyclopentylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 142050215
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
CID 89175679
CID 89175679

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine (CID 58786809) is 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine is Nc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine?
The InChIKey is CEUHFSAIWFAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-17-13-21-19(24-18(17)22-14-3-1-2-4-14)23-15-5-7-16(8-6-15)25-9-11-26-12-10-25/h5-8,13-14H,1-4,9-12,20H2,(H2,21,22,23,24).
What are the key properties of 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine?
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine has a molecular weight of 354.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 58786809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).