4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C12H20N4O2 — CID 136805764

IUPAC4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O2/c1-18-7-9(13)4-5-14-10-6-11(17)16-12(15-10)8-2-3-8/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyDNNQHYQMNWKDFA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.42
Rot. Bonds7

About 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136805764) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136805764
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O2/c1-18-7-9(13)4-5-14-10-6-11(17)16-12(15-10)8-2-3-8/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyDNNQHYQMNWKDFA-UHFFFAOYSA-N
XLogP0.42
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586383
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706916
2-cyclopropyl-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713915
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-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730544
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730546
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764982

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136805764) is 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is COCC(N)CCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is DNNQHYQMNWKDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-7-9(13)4-5-14-10-6-11(17)16-12(15-10)8-2-3-8/h6,8-9H,2-5,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).