2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

C17H28N6O2 — CID 136831955

IUPAC2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)N1CCC[C@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C17H28N6O2/c1-12(2)23-5-3-4-13(11-23)16(25)22-8-6-21(7-9-22)14-10-15(24)20-17(18)19-14/h10,12-13H,3-9,11H2,1-2H3,(H3,18,19,20,24)/t13-/m0/s1
InChIKeyNATDHKTXMLSKLV-ZDUSSCGKSA-N
MW348.45 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136831955) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136831955
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)N1CCC[C@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1
InChIInChI=1S/C17H28N6O2/c1-12(2)23-5-3-4-13(11-23)16(25)22-8-6-21(7-9-22)14-10-15(24)20-17(18)19-14/h10,12-13H,3-9,11H2,1-2H3,(H3,18,19,20,24)/t13-/m0/s1
InChIKeyNATDHKTXMLSKLV-ZDUSSCGKSA-N
XLogP0.12
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(2-thienyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 53010393
1-methyl-N-(4-methylphenyl)-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 53010395
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(1-piperidinyl)ethyl]-3-piperidinecarboxamide
CID 53010408
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070847
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070848
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070851
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 93070852
1-cyclohexyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 136037667
1'-methyl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}-1,4'-bipiperidine-3-carboxamide
CID 136147299
2-amino-6-{4-[3-(1-methyl-3-piperidinyl)propanoyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136216810
2-amino-6-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136217079

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136831955) is 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)N1CCC[C@H](C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)C1.
What is the InChIKey of 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NATDHKTXMLSKLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-12(2)23-5-3-4-13(11-23)16(25)22-8-6-21(7-9-22)14-10-15(24)20-17(18)19-14/h10,12-13H,3-9,11H2,1-2H3,(H3,18,19,20,24)/t13-/m0/s1.
What are the key properties of 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136831955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).