4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid

C14H19N3O4 — CID 136972253

IUPAC4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H19N3O4/c18-11-7-10(16-12(17-11)9-1-2-9)15-8-14(13(19)20)3-5-21-6-4-14/h7,9H,1-6,8H2,(H,19,20)(H2,15,16,17,18)
InChIKeyRTDMDQWIWPNZBA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.94
Rot. Bonds5

About 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 136972253) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
PubChem CID136972253
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H19N3O4/c18-11-7-10(16-12(17-11)9-1-2-9)15-8-14(13(19)20)3-5-21-6-4-14/h7,9H,1-6,8H2,(H,19,20)(H2,15,16,17,18)
InChIKeyRTDMDQWIWPNZBA-UHFFFAOYSA-N
XLogP0.94
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136976584
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762614
2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976098
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136975898
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid (CID 136972253) is 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid is O=C(O)C1(CNc2cc(=O)[nH]c(C3CC3)n2)CCOCC1.
What is the InChIKey of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is RTDMDQWIWPNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-11-7-10(16-12(17-11)9-1-2-9)15-8-14(13(19)20)3-5-21-6-4-14/h7,9H,1-6,8H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 136972253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).