N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide

C17H23N7O — CID 122357284

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cn1
InChIInChI=1S/C17H23N7O/c1-11-9-19-14(10-18-11)16(25)22-15-12(2)20-17(21-13(15)3)24-7-5-23(4)6-8-24/h9-10H,5-8H2,1-4H3,(H,22,25)
InChIKeyYCPZKWUFFHZWBL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.20
Rot. Bonds3

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 122357284) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
PubChem CID122357284
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cn1
InChIInChI=1S/C17H23N7O/c1-11-9-19-14(10-18-11)16(25)22-15-12(2)20-17(21-13(15)3)24-7-5-23(4)6-8-24/h9-10H,5-8H2,1-4H3,(H,22,25)
InChIKeyYCPZKWUFFHZWBL-UHFFFAOYSA-N
XLogP1.20
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122357285
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122357215
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122357159

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide (CID 122357284) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cn1.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YCPZKWUFFHZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-9-19-14(10-18-11)16(25)22-15-12(2)20-17(21-13(15)3)24-7-5-23(4)6-8-24/h9-10H,5-8H2,1-4H3,(H,22,25).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 122357284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).