4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide

C10H15N5O — CID 58937972

IUPAC4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)nc(N2CCC2)c1C
InChIInChI=1S/C10H15N5O/c1-6-8(12-2)13-9(7(11)16)14-10(6)15-4-3-5-15/h3-5H2,1-2H3,(H2,11,16)(H,12,13,14)
InChIKeyAYVJQCBUKGDPGC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.14
Rot. Bonds3

About 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide

4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide (PubChem CID 58937972) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide
PubChem CID58937972
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide
SMILESCNc1nc(C(N)=O)nc(N2CCC2)c1C
InChIInChI=1S/C10H15N5O/c1-6-8(12-2)13-9(7(11)16)14-10(6)15-4-3-5-15/h3-5H2,1-2H3,(H2,11,16)(H,12,13,14)
InChIKeyAYVJQCBUKGDPGC-UHFFFAOYSA-N
XLogP0.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The IUPAC name of 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide (CID 58937972) is 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide is CNc1nc(C(N)=O)nc(N2CCC2)c1C.
What is the InChIKey of 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide?
The InChIKey is AYVJQCBUKGDPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-8(12-2)13-9(7(11)16)14-10(6)15-4-3-5-15/h3-5H2,1-2H3,(H2,11,16)(H,12,13,14).
What are the key properties of 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide?
4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 58937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).