2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one

C12H22N4O — CID 137000544

IUPAC2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-9(2)16(4)7-5-6-13-11-8-12(17)15-10(3)14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyGDUCQCJPPORGCX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.22
Rot. Bonds6

About 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one

2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one (PubChem CID 137000544) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
PubChem CID137000544
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-9(2)16(4)7-5-6-13-11-8-12(17)15-10(3)14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17)
InChIKeyGDUCQCJPPORGCX-UHFFFAOYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
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-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 114139075
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one (CID 137000544) is 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one is Cc1nc(NCCCN(C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one?
The InChIKey is GDUCQCJPPORGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)16(4)7-5-6-13-11-8-12(17)15-10(3)14-11/h8-9H,5-7H2,1-4H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one?
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137000544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).