4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C17H24ClN7 — CID 118390016

IUPAC4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1
InChIInChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)
InChIKeyUYSLJWYWNNTFPF-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.94
Rot. Bonds4

About 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 118390016) has the molecular formula C17H24ClN7 and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID118390016
Molecular FormulaC17H24ClN7
Molecular Weight361.88 g/mol
Exact Mass361.18
IUPAC Name4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1
InChIInChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)
InChIKeyUYSLJWYWNNTFPF-UHFFFAOYSA-N
XLogP2.94
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 118390016) is 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1.
What is the InChIKey of 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is UYSLJWYWNNTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24).
What are the key properties of 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 361.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-azaspiro[4.5]decan-8-yl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118390016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).