9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H31N5O2 — CID 70773058

IUPAC9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-10-7-19(8-11-23)6-5-17(26)24(14-19)9-4-12-25/h13,25H,4-12,14H2,1-3H3
InChIKeyQJBWKLAVAQZCTE-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.44
Rot. Bonds5

About 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70773058) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70773058
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc(N(C)C)n1
InChIInChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-10-7-19(8-11-23)6-5-17(26)24(14-19)9-4-12-25/h13,25H,4-12,14H2,1-3H3
InChIKeyQJBWKLAVAQZCTE-UHFFFAOYSA-N
XLogP1.44
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70773058) is 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)nc(N(C)C)n1.
What is the InChIKey of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QJBWKLAVAQZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-13-16(21-18(20-15)22(2)3)23-10-7-19(8-11-23)6-5-17(26)24(14-19)9-4-12-25/h13,25H,4-12,14H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70773058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).