2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

C13H22N6O2 — CID 136663811

IUPAC2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](N)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C13H22N6O2/c1-8(2)11(14)12(21)19-5-3-18(4-6-19)9-7-10(20)17-13(15)16-9/h7-8,11H,3-6,14H2,1-2H3,(H3,15,16,17,20)/t11-/m1/s1
InChIKeyOPIUEKAWWGFMTN-LLVKDONJSA-N
MW294.36 g/mol
LogP-1.02
Rot. Bonds3

About 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136663811) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136663811
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](N)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C13H22N6O2/c1-8(2)11(14)12(21)19-5-3-18(4-6-19)9-7-10(20)17-13(15)16-9/h7-8,11H,3-6,14H2,1-2H3,(H3,15,16,17,20)/t11-/m1/s1
InChIKeyOPIUEKAWWGFMTN-LLVKDONJSA-N
XLogP-1.02
TPSA121.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 118591460
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136231800
N~1~-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}-D-valinamide
CID 136662261
1-acetyl-N-[1-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide
CID 136663620
2-[4-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 136663745
1-acetyl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}piperidine-4-carboxamide
CID 136663807
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136713575
3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136784833
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanamide
CID 136784836
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136784842
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784844

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136663811) is 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is CC(C)[C@@H](N)C(=O)N1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OPIUEKAWWGFMTN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-8(2)11(14)12(21)19-5-3-18(4-6-19)9-7-10(20)17-13(15)16-9/h7-8,11H,3-6,14H2,1-2H3,(H3,15,16,17,20)/t11-/m1/s1.
What are the key properties of 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 294.36 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(2R)-2-amino-3-methylbutanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136663811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).