(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one

C15H21N5O — CID 99829144

IUPAC(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@H]1C(=O)NCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H21N5O/c1-11(2)8-13-14(21)16-5-7-19(13)9-12-10-20-6-3-4-17-15(20)18-12/h3-4,6,10-11,13H,5,7-9H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyAXQJVBIOSDBYIB-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.08
Rot. Bonds4

About (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one

(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 99829144) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID99829144
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@H]1C(=O)NCCN1Cc1cn2cccnc2n1
InChIInChI=1S/C15H21N5O/c1-11(2)8-13-14(21)16-5-7-19(13)9-12-10-20-6-3-4-17-15(20)18-12/h3-4,6,10-11,13H,5,7-9H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyAXQJVBIOSDBYIB-ZDUSSCGKSA-N
XLogP1.08
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-1-(4,4-difluoropiperidin-1-yl)-N-(3,3-dimethylbutan-2-yl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 54585090
US10166214, Example 131
CID 117709192
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53592170
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 53613635
1-(3-Imidazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618214
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618282
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 56764916
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56779752
2-(4-imidazol-1-ylpiperidin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 56805054
N-[1-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-2-methylpropyl]acetamide
CID 56905957
1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 70742805
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide
CID 72854333

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one (CID 99829144) is (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)C[C@H]1C(=O)NCCN1Cc1cn2cccnc2n1.
What is the InChIKey of (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is AXQJVBIOSDBYIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)8-13-14(21)16-5-7-19(13)9-12-10-20-6-3-4-17-15(20)18-12/h3-4,6,10-11,13H,5,7-9H2,1-2H3,(H,16,21)/t13-/m0/s1.
What are the key properties of (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one?
(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 287.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 99829144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).