4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

C9H16N4O2 — CID 137008367

IUPAC4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC(C)N)nc[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-6(10)4-13(2)8-7(15-3)9(14)12-5-11-8/h5-6H,4,10H2,1-3H3,(H,11,12,14)
InChIKeyIHYUVGVHUKOCGJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds4

About 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137008367) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137008367
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC(C)N)nc[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-6(10)4-13(2)8-7(15-3)9(14)12-5-11-8/h5-6H,4,10H2,1-3H3,(H,11,12,14)
InChIKeyIHYUVGVHUKOCGJ-UHFFFAOYSA-N
XLogP-0.44
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
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-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734
5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009050
5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 137015754

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137008367) is 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)CC(C)N)nc[nH]c1=O.
What is the InChIKey of 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IHYUVGVHUKOCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(10)4-13(2)8-7(15-3)9(14)12-5-11-8/h5-6H,4,10H2,1-3H3,(H,11,12,14).
What are the key properties of 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137008367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).