2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

C18H26N6O3 — CID 137048543

IUPAC2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H26N6O3/c19-18-20-14(11-15(25)21-18)22-7-9-23(10-8-22)17(27)13-3-1-2-6-24(13)16(26)12-4-5-12/h11-13H,1-10H2,(H3,19,20,21,25)/t13-/m0/s1
InChIKeyWHILQXSVTKBZCC-ZDUSSCGKSA-N
MW374.45 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137048543) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137048543
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H26N6O3/c19-18-20-14(11-15(25)21-18)22-7-9-23(10-8-22)17(27)13-3-1-2-6-24(13)16(26)12-4-5-12/h11-13H,1-10H2,(H3,19,20,21,25)/t13-/m0/s1
InChIKeyWHILQXSVTKBZCC-ZDUSSCGKSA-N
XLogP-0.21
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-[2-[4-(4-Cyclopropyl-5-fluoro-6-oxo-1,3-diazinan-2-yl)piperazin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 168002797
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
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
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136231800
2-[3-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 136252931
1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]piperidine-2-carboxamide
CID 136559539
1-(cyclopropylcarbonyl)-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}piperidine-2-carboxamide
CID 136662283
2-[4-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 136663612
2-amino-6-(4-{[1-(cyclopropylcarbonyl)piperidin-2-yl]carbonyl}piperazin-1-yl)pyrimidin-4(3H)-one
CID 136663625
2-amino-4-[4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136822814
2-amino-4-[4-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136822815

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 137048543) is 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WHILQXSVTKBZCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N6O3/c19-18-20-14(11-15(25)21-18)22-7-9-23(10-8-22)17(27)13-3-1-2-6-24(13)16(26)12-4-5-12/h11-13H,1-10H2,(H3,19,20,21,25)/t13-/m0/s1.
What are the key properties of 2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 374.45 g/mol, XLogP of -0.21, 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-[(2S)-1-(cyclopropanecarbonyl)piperidine-2-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137048543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).