2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

C16H28N4O — CID 137007942

IUPAC2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)NCC1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20-8-6-5-7-13(20)10-17-12(3)4/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21)
InChIKeyLCQSDGLOOHZNHZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.25
Rot. Bonds5

About 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137007942) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137007942
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)NCC1CCCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20-8-6-5-7-13(20)10-17-12(3)4/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21)
InChIKeyLCQSDGLOOHZNHZ-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007945
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136687968
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
2-methyl-4-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007800
4-(2,5-diethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978344
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 137007942) is 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is CC(C)NCC1CCCCN1c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LCQSDGLOOHZNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20-8-6-5-7-13(20)10-17-12(3)4/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21).
What are the key properties of 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137007942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).