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

C9H16N4O — CID 137008785

IUPAC4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(N)CCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O/c1-7(10)3-4-13(2)8-5-9(14)12-6-11-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)
InChIKeyXVNRLHPQWVKSDS-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.06
Rot. Bonds4

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

4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 137008785) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID137008785
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCC(N)CCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O/c1-7(10)3-4-13(2)8-5-9(14)12-6-11-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)
InChIKeyXVNRLHPQWVKSDS-UHFFFAOYSA-N
XLogP-0.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 137269684
2-amino-6-(isopropylamino)pyrimidin-4(3H)-one
CID 135778378
4-(cyclopropylamino)-1H-pyrimidin-6-one
CID 136006849
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one (CID 137008785) is 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one is CC(N)CCN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XVNRLHPQWVKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10)3-4-13(2)8-5-9(14)12-6-11-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one?
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).