(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

C14H22N4O — CID 136879080

IUPAC(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-7-18(10-14)12(19)11-9-17-8-4-6-15-13(17)16-11/h9H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyNBXQUVJPRSEADH-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.96
Rot. Bonds1

About (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone

(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 136879080) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID136879080
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-7-18(10-14)12(19)11-9-17-8-4-6-15-13(17)16-11/h9H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyNBXQUVJPRSEADH-UHFFFAOYSA-N
XLogP1.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-azaspiro[4.5]decan-8-yl(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879118
(3,4-dihydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136745742
(3-hydroxypyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136745690
N-(4-methyloxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879212
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879160
N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879232
N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878676
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879067
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136994537
N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879113
N-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878680
N-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136994527

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 136879080) is (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is CC1(C)CCCN(C(=O)c2cn3c(n2)NCCC3)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is NBXQUVJPRSEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2)5-3-7-18(10-14)12(19)11-9-17-8-4-6-15-13(17)16-11/h9H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone?
(3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 136879080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).