4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

C15H20N6O — CID 136662070

IUPAC4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2cc(=O)[nH]c(C)n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6O/c1-8-18-12(5-15(22)21-8)7-17-14-6-13(19-9(2)20-14)10-3-11(16)4-10/h5-6,10-11H,3-4,7,16H2,1-2H3,(H,17,19,20)(H,18,21,22)
InChIKeyAUYZKIKNYCYWFS-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.99
Rot. Bonds4

About 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one

4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136662070) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136662070
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2cc(=O)[nH]c(C)n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6O/c1-8-18-12(5-15(22)21-8)7-17-14-6-13(19-9(2)20-14)10-3-11(16)4-10/h5-6,10-11H,3-4,7,16H2,1-2H3,(H,17,19,20)(H,18,21,22)
InChIKeyAUYZKIKNYCYWFS-UHFFFAOYSA-N
XLogP0.99
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 136662070) is 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCc2cc(=O)[nH]c(C)n2)cc(C2CC(N)C2)n1.
What is the InChIKey of 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AUYZKIKNYCYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-8-18-12(5-15(22)21-8)7-17-14-6-13(19-9(2)20-14)10-3-11(16)4-10/h5-6,10-11H,3-4,7,16H2,1-2H3,(H,17,19,20)(H,18,21,22).
What are the key properties of 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 300.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).