4-amino-2-(methylamino)pyrimidine-5-carboxamide

C6H9N5O — CID 112692990

IUPAC4-amino-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C6H9N5O/c1-9-6-10-2-3(5(8)12)4(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,10,11)
InChIKeyVMUKAXPKUFNYLB-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.80
Rot. Bonds2

About 4-amino-2-(methylamino)pyrimidine-5-carboxamide

4-amino-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 112692990) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID112692990
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name4-amino-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(N)=O)c(N)n1
InChIInChI=1S/C6H9N5O/c1-9-6-10-2-3(5(8)12)4(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,10,11)
InChIKeyVMUKAXPKUFNYLB-UHFFFAOYSA-N
XLogP-0.80
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-pyrimidinecarboxamide
CID 818212
2-Aminopyrimidine-5-carbaldehyde
CID 769097
Pyrimidine-5-carboxamide
CID 351819
4-Amino-2-methylpyrimidine-5-carbaldehyde
CID 12904726
4-Amino-2-(Cyclopentyloxy)pyrimidine-5-Carboxamide
CID 70685821
4-Amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 70694174
2-amino-N-hydroxypyrimidine-5-carboxamide
CID 87814574
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
4-Aminopyrimidine-5-carbaldehyde
CID 11228787
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
2-(Dimethylamino)-5-pyrimidinecarbaldehyde
CID 795544
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)pyrimidine-5-carboxamide (CID 112692990) is 4-amino-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(N)=O)c(N)n1.
What is the InChIKey of 4-amino-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is VMUKAXPKUFNYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-9-6-10-2-3(5(8)12)4(7)11-6/h2H,1H3,(H2,8,12)(H3,7,9,10,11).
What are the key properties of 4-amino-2-(methylamino)pyrimidine-5-carboxamide?
4-amino-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 112692990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).