N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide

C12H14N6O — CID 72718242

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2cnccn2)n1
InChIInChI=1S/C12H14N6O/c1-18(2)11-3-4-15-10(17-11)8-16-12(19)9-7-13-5-6-14-9/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyQORVBIKCDNKXHG-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.26
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 72718242) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID72718242
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2cnccn2)n1
InChIInChI=1S/C12H14N6O/c1-18(2)11-3-4-15-10(17-11)8-16-12(19)9-7-13-5-6-14-9/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyQORVBIKCDNKXHG-UHFFFAOYSA-N
XLogP0.26
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide (CID 72718242) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide is CN(C)c1ccnc(CNC(=O)c2cnccn2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is QORVBIKCDNKXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-18(2)11-3-4-15-10(17-11)8-16-12(19)9-7-13-5-6-14-9/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 72718242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).