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

C9H16N4O2 — CID 136805756

IUPAC4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O2/c1-15-5-7(10)2-3-11-8-4-9(14)13-6-12-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyHGXKYDXPFLJBRI-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.45
Rot. Bonds6

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

4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805756) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
PubChem CID136805756
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O2/c1-15-5-7(10)2-3-11-8-4-9(14)13-6-12-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyHGXKYDXPFLJBRI-UHFFFAOYSA-N
XLogP-0.45
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136805754
4-[(3-amino-4-methoxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805757
5-amino-4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805760
4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805761
4-[(3-amino-4-methoxybutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136805762
4-[(3-amino-4-methoxybutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136805763
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
4-[(1-amino-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870574
4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883383
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896842

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one (CID 136805756) is 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one is COCC(N)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HGXKYDXPFLJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-15-5-7(10)2-3-11-8-4-9(14)13-6-12-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one?
4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.45, 6 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).