2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol

C18H26ClN7O — CID 118173813

IUPAC2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol
SMILESCc1cc(Nc2nc(N(C)C3CC4(CCNCC4)CC3O)ncc2Cl)n[nH]1
InChIInChI=1S/C18H26ClN7O/c1-11-7-15(25-24-11)22-16-12(19)10-21-17(23-16)26(2)13-8-18(9-14(13)27)3-5-20-6-4-18/h7,10,13-14,20,27H,3-6,8-9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyPRBSBAYDBFPZDX-UHFFFAOYSA-N
MW391.91 g/mol
LogP2.23
Rot. Bonds4

About 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol

2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol (PubChem CID 118173813) has the molecular formula C18H26ClN7O and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol
PubChem CID118173813
Molecular FormulaC18H26ClN7O
Molecular Weight391.91 g/mol
Exact Mass391.19
IUPAC Name2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol
SMILESCc1cc(Nc2nc(N(C)C3CC4(CCNCC4)CC3O)ncc2Cl)n[nH]1
InChIInChI=1S/C18H26ClN7O/c1-11-7-15(25-24-11)22-16-12(19)10-21-17(23-16)26(2)13-8-18(9-14(13)27)3-5-20-6-4-18/h7,10,13-14,20,27H,3-6,8-9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyPRBSBAYDBFPZDX-UHFFFAOYSA-N
XLogP2.23
TPSA101.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol with MolForge

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Related Compounds

5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(4-piperidin-4-ylnaphthalen-1-yl)pyrimidine-2,4-diamine
CID 58257121
3-[9-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-3-azaspiro[5.5]undecan-3-yl]-3-oxopropanenitrile
CID 118183015
5-chloro-2-N-[(5-fluoropyrimidin-2-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 50993640
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]cyclohexan-1-ol
CID 44621649
2-N-[(6R)-5-ethyl-6-methyl-7-azabicyclo[4.1.0]heptan-3-yl]-2-N,6-dimethyl-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166871370
1-[9-[[4-[(1-amino-5-cyclopropylpyrazol-3-yl)amino]-5-chloropyrimidin-2-yl]-methylamino]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 118182992
5-chloro-2-N-[2,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44621650
[2-[[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-methylamino]-5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methanol
CID 138605599
1-[4-[2,5-dichloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 58255128
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255081
[2-[[(2R,6S)-2,6-diethylpiperidin-4-yl]-methylamino]-5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methanol
CID 174025649

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol (CID 118173813) is 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol is Cc1cc(Nc2nc(N(C)C3CC4(CCNCC4)CC3O)ncc2Cl)n[nH]1.
What is the InChIKey of 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol?
The InChIKey is PRBSBAYDBFPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7O/c1-11-7-15(25-24-11)22-16-12(19)10-21-17(23-16)26(2)13-8-18(9-14(13)27)3-5-20-6-4-18/h7,10,13-14,20,27H,3-6,8-9H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol?
2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol has a molecular weight of 391.91 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 118173813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).