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

C15H21N7O2 — CID 136930428

IUPAC2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCn1cc(CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)cn1
InChIInChI=1S/C15H21N7O2/c1-20-10-11(9-17-20)2-3-14(24)22-6-4-21(5-7-22)12-8-13(23)19-15(16)18-12/h8-10H,2-7H2,1H3,(H3,16,18,19,23)
InChIKeyMAONRQKVCFJHNU-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.63
Rot. Bonds4

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

2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136930428) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136930428
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCn1cc(CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)cn1
InChIInChI=1S/C15H21N7O2/c1-20-10-11(9-17-20)2-3-14(24)22-6-4-21(5-7-22)12-8-13(23)19-15(16)18-12/h8-10H,2-7H2,1H3,(H3,16,18,19,23)
InChIKeyMAONRQKVCFJHNU-UHFFFAOYSA-N
XLogP-0.63
TPSA113.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 136930428) is 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is Cn1cc(CCC(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)cn1.
What is the InChIKey of 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MAONRQKVCFJHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20-10-11(9-17-20)2-3-14(24)22-6-4-21(5-7-22)12-8-13(23)19-15(16)18-12/h8-10H,2-7H2,1H3,(H3,16,18,19,23).
What are the key properties of 2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 331.38 g/mol, XLogP of -0.63, 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-[3-(1-methylpyrazol-4-yl)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136930428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).