5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

C11H20N4O2 — CID 136764966

IUPAC5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyIZSIUNXQUABCGN-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.83
Rot. Bonds7

About 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764966) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764966
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyIZSIUNXQUABCGN-UHFFFAOYSA-N
XLogP0.83
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-4-[3-(2-methylpropoxy)propylamino]-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

5-amino-2-(3-ethoxypropylamino)-1H-pyrimidin-6-one
CID 70584840
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241435
5-amino-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586395
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
5-amino-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696626
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (CID 136764966) is 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is CC(C)COCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is IZSIUNXQUABCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)6-17-5-3-4-13-10-9(12)11(16)15-7-14-10/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).