4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide

C8H13N5O — CID 82400383

IUPAC4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide
SMILESCN(C)c1cc(CN)nc(C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-13(2)6-3-5(4-9)11-8(12-6)7(10)14/h3H,4,9H2,1-2H3,(H2,10,14)
InChIKeyRNGMTCFACUEGNW-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.90
Rot. Bonds3

About 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide

4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide (PubChem CID 82400383) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide
PubChem CID82400383
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide
SMILESCN(C)c1cc(CN)nc(C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-13(2)6-3-5(4-9)11-8(12-6)7(10)14/h3H,4,9H2,1-2H3,(H2,10,14)
InChIKeyRNGMTCFACUEGNW-UHFFFAOYSA-N
XLogP-0.90
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide (CID 82400383) is 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide is CN(C)c1cc(CN)nc(C(N)=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide?
The InChIKey is RNGMTCFACUEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13(2)6-3-5(4-9)11-8(12-6)7(10)14/h3H,4,9H2,1-2H3,(H2,10,14).
What are the key properties of 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide?
4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(dimethylamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 82400383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).