2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

C16H23N7O2 — CID 136988391

IUPAC2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCCn1ncc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1C
InChIInChI=1S/C16H23N7O2/c1-3-4-23-11(2)12(10-18-23)15(25)22-7-5-21(6-8-22)13-9-14(24)20-16(17)19-13/h9-10H,3-8H2,1-2H3,(H3,17,19,20,24)
InChIKeyBLDMDOONVQKJNF-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.23
Rot. Bonds4

About 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136988391) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136988391
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCCn1ncc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1C
InChIInChI=1S/C16H23N7O2/c1-3-4-23-11(2)12(10-18-23)15(25)22-7-5-21(6-8-22)13-9-14(24)20-16(17)19-13/h9-10H,3-8H2,1-2H3,(H3,17,19,20,24)
InChIKeyBLDMDOONVQKJNF-UHFFFAOYSA-N
XLogP0.23
TPSA113.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446
2-amino-4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665275
2-amino-4-[4-(quinoline-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136664883
[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 131949132
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957344
2-amino-4-[4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136998462
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
2-amino-4-[4-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137125628
2-amino-4-[4-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137125629

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136988391) is 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCCn1ncc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1C.
What is the InChIKey of 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BLDMDOONVQKJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-3-4-23-11(2)12(10-18-23)15(25)22-7-5-21(6-8-22)13-9-14(24)20-16(17)19-13/h9-10H,3-8H2,1-2H3,(H3,17,19,20,24).
What are the key properties of 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 345.41 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136988391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).