4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H18N4O2 — CID 137008782

IUPAC4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCC(C)N)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-7(11)4-5-14(2)9-8(16-3)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyOKXIPTZFHWAVBL-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds5

About 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137008782) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137008782
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCC(C)N)nc[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-7(11)4-5-14(2)9-8(16-3)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyOKXIPTZFHWAVBL-UHFFFAOYSA-N
XLogP-0.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009050
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137008782) is 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)CCC(C)N)nc[nH]c1=O.
What is the InChIKey of 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OKXIPTZFHWAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(11)4-5-14(2)9-8(16-3)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137008782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).