4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136989486

IUPAC4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(CN)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(5-12,7-3-4-7)15-9-8(17-2)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAPGYJFSRANCYEI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds5

About 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989486) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989486
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)(CN)C2CC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(5-12,7-3-4-7)15-9-8(17-2)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAPGYJFSRANCYEI-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136989486) is 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)(CN)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is APGYJFSRANCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(5-12,7-3-4-7)15-9-8(17-2)10(16)14-6-13-9/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).