4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136764992

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(7-12(16)15-9)13-5-2-6-17-8-10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyMMGYSWPBTVHIPJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds7

About 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one

4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136764992) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136764992
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(7-12(16)15-9)13-5-2-6-17-8-10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16)
InChIKeyMMGYSWPBTVHIPJ-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-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

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586392
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730523

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (CID 136764992) is 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCOCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MMGYSWPBTVHIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-11(7-12(16)15-9)13-5-2-6-17-8-10-3-4-10/h7,10H,2-6,8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).