4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C19H21N7O2 — CID 137269890

IUPAC4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H21N7O2/c1-12-13(2)22-18(23-19(12)28)14-4-5-16(20-8-14)25-6-7-26(17(27)11-25)15-9-21-24(3)10-15/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,28)
InChIKeyYOUQDZKGSVMGEL-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.04
Rot. Bonds3

About 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137269890) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137269890
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C19H21N7O2/c1-12-13(2)22-18(23-19(12)28)14-4-5-16(20-8-14)25-6-7-26(17(27)11-25)15-9-21-24(3)10-15/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,28)
InChIKeyYOUQDZKGSVMGEL-UHFFFAOYSA-N
XLogP1.04
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137269890) is 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is YOUQDZKGSVMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12-13(2)22-18(23-19(12)28)14-4-5-16(20-8-14)25-6-7-26(17(27)11-25)15-9-21-24(3)10-15/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23,28).
What are the key properties of 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 379.42 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137269890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).