4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine

C18H26ClN7 — CID 118390037

IUPAC4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cnc(Nc2ncc(Cl)c(NC3CCC4(CCNCC4)CC3)n2)c1
InChIInChI=1S/C18H26ClN7/c1-26-11-15(22-12-26)24-17-21-10-14(19)16(25-17)23-13-2-4-18(5-3-13)6-8-20-9-7-18/h10-13,20H,2-9H2,1H3,(H2,21,23,24,25)
InChIKeyGRFAORIROKMXKN-UHFFFAOYSA-N
MW375.91 g/mol
LogP3.33
Rot. Bonds4

About 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine

4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 118390037) has the molecular formula C18H26ClN7 and a molecular weight of 375.91 g/mol. Its IUPAC name is 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
PubChem CID118390037
Molecular FormulaC18H26ClN7
Molecular Weight375.91 g/mol
Exact Mass375.19
IUPAC Name4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cnc(Nc2ncc(Cl)c(NC3CCC4(CCNCC4)CC3)n2)c1
InChIInChI=1S/C18H26ClN7/c1-26-11-15(22-12-26)24-17-21-10-14(19)16(25-17)23-13-2-4-18(5-3-13)6-8-20-9-7-18/h10-13,20H,2-9H2,1H3,(H2,21,23,24,25)
InChIKeyGRFAORIROKMXKN-UHFFFAOYSA-N
XLogP3.33
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
4-N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-5-chloro-2-N-(1-propylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[5-[[5-chloro-2-[(1-methylimidazol-4-yl)amino]pyrimidin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-1-one;1-[9-[[5-chloro-2-[(1-methylimidazol-4-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.5]undecan-3-yl]propan-1-one;3-[5-[[5-chloro-2-[(1-propylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropanenitrile
CID 157382432
1-[9-[[5-chloro-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 118411031
4-N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 118390103
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
tert-butyl 8-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 118390043
3-[9-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.51]heptapentacontan-3-yl]-3-oxopropanenitrile
CID 118394418
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
4-[[5-chloro-4-(cyclopropylamino)pyrimidin-2-yl]amino]benzaldehyde
CID 87670630
1-[9-[[5-chloro-2-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-4-yl]amino]-3-azaspiro[5.51]heptapentacontan-3-yl]ethanone
CID 118394037
2-chloro-N-(1-methylimidazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 141264710

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine (CID 118390037) is 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine is Cn1cnc(Nc2ncc(Cl)c(NC3CCC4(CCNCC4)CC3)n2)c1.
What is the InChIKey of 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is GRFAORIROKMXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7/c1-26-11-15(22-12-26)24-17-21-10-14(19)16(25-17)23-13-2-4-18(5-3-13)6-8-20-9-7-18/h10-13,20H,2-9H2,1H3,(H2,21,23,24,25).
What are the key properties of 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine?
4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 375.91 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-azaspiro[5.5]undecan-9-yl)-5-chloro-2-N-(1-methylimidazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118390037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).