2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C11H18N6O — CID 114220417

IUPAC2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NN2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-8-7-9(14-11(12)13-8)10(18)15-17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H,15,18)(H2,12,13,14)
InChIKeyRDMRIMYEPGVRJA-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.74
Rot. Bonds2

About 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 114220417) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID114220417
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NN2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-8-7-9(14-11(12)13-8)10(18)15-17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H,15,18)(H2,12,13,14)
InChIKeyRDMRIMYEPGVRJA-UHFFFAOYSA-N
XLogP-0.74
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 114220417) is 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NN2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RDMRIMYEPGVRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-7-9(14-11(12)13-8)10(18)15-17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H,15,18)(H2,12,13,14).
What are the key properties of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 250.31 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 114220417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).