4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one

C10H18N4O — CID 137008779

IUPAC4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(N)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H18N4O/c1-3-8(11)4-5-12-9-6-10(15)14-7(2)13-9/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyNRXJDTAVJPYGOP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds5

About 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one

4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137008779) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID137008779
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(N)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H18N4O/c1-3-8(11)4-5-12-9-6-10(15)14-7(2)13-9/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyNRXJDTAVJPYGOP-UHFFFAOYSA-N
XLogP0.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one (CID 137008779) is 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one is CCC(N)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NRXJDTAVJPYGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8(11)4-5-12-9-6-10(15)14-7(2)13-9/h6,8H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).