4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 136956893

IUPAC4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CC(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(4-10(15)13-6)11-5-7-2-8(14)3-7/h4,7-8,14H,2-3,5H2,1H3,(H2,11,12,13,15)
InChIKeyXQFUWWWKFHJQKD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds3

About 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956893) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956893
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2CC(O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(4-10(15)13-6)11-5-7-2-8(14)3-7/h4,7-8,14H,2-3,5H2,1H3,(H2,11,12,13,15)
InChIKeyXQFUWWWKFHJQKD-UHFFFAOYSA-N
XLogP0.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 137015526
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66326326
5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 137015890
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136956893) is 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC2CC(O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XQFUWWWKFHJQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-12-9(4-10(15)13-6)11-5-7-2-8(14)3-7/h4,7-8,14H,2-3,5H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).