4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea

C24H34N10O2 — CID 162511206

IUPAC4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
SMILESNC(=O)NCCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H34N10O2/c25-23(35)26-9-3-4-10-27-24-31-21(20-22(32-24)34(16-29-20)18-5-1-2-6-18)30-17-7-8-19(28-15-17)33-11-13-36-14-12-33/h7-8,15-16,18H,1-6,9-14H2,(H3,25,26,35)(H2,27,30,31,32)
InChIKeyQJWQCNCMKJOWTA-UHFFFAOYSA-N
MW494.60 g/mol
LogP2.78
Rot. Bonds10

About 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea

4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea (PubChem CID 162511206) has the molecular formula C24H34N10O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea.

Molecular Properties

Compound Name4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
PubChem CID162511206
Molecular FormulaC24H34N10O2
Molecular Weight494.60 g/mol
Exact Mass494.29
IUPAC Name4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea
SMILESNC(=O)NCCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C24H34N10O2/c25-23(35)26-9-3-4-10-27-24-31-21(20-22(32-24)34(16-29-20)18-5-1-2-6-18)30-17-7-8-19(28-15-17)33-11-13-36-14-12-33/h7-8,15-16,18H,1-6,9-14H2,(H3,25,26,35)(H2,27,30,31,32)
InChIKeyQJWQCNCMKJOWTA-UHFFFAOYSA-N
XLogP2.78
TPSA148.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
[4-[[2-(3-aminopropylamino)-9-cyclopentylpurin-6-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 151387867
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
2-[5-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]pentyl]guanidine
CID 150356248
2-[3-[[9-cyclopentyl-6-[4-(morpholin-4-ylmethyl)anilino]purin-2-yl]amino]propyl]guanidine
CID 151352382
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
3-[[9-cyclopentyl-6-[[6-[(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]-3-pyridinyl]amino]purin-2-yl]amino]propanamide
CID 162511222
[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 158970374
2-[[9-cyclopentyl-6-[4-(piperazine-1-carbonyl)anilino]purin-2-yl]amino]acetamide
CID 157235463
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738
9-cyclopentyl-2-(4-methylpiperazin-1-yl)-N-(6-piperazin-1-yl-3-pyridinyl)purin-6-amine
CID 160921333
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841

Frequently Asked Questions

What is the IUPAC name of 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea?
The IUPAC name of 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea (CID 162511206) is 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea.
What is the SMILES notation for 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea?
The canonical SMILES for 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea is NC(=O)NCCCCNc1nc(Nc2ccc(N3CCOCC3)nc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea?
The InChIKey is QJWQCNCMKJOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N10O2/c25-23(35)26-9-3-4-10-27-24-31-21(20-22(32-24)34(16-29-20)18-5-1-2-6-18)30-17-7-8-19(28-15-17)33-11-13-36-14-12-33/h7-8,15-16,18H,1-6,9-14H2,(H3,25,26,35)(H2,27,30,31,32).
What are the key properties of 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea?
4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea has a molecular weight of 494.60 g/mol, XLogP of 2.78, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-cyclopentyl-6-[(6-morpholin-4-yl-3-pyridinyl)amino]purin-2-yl]amino]butylurea is sourced from PubChem (CID 162511206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).