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

C14H26N4O — CID 136975212

IUPAC2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c1-5-12-16-13(10-14(19)17-12)15-8-6-7-9-18(4)11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyNWPOLYFKNULLLJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.86
Rot. Bonds8

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

2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one (PubChem CID 136975212) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
PubChem CID136975212
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c1-5-12-16-13(10-14(19)17-12)15-8-6-7-9-18(4)11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyNWPOLYFKNULLLJ-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.86
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-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one (CID 136975212) is 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one is CCc1nc(NCCCCN(C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one?
The InChIKey is NWPOLYFKNULLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-12-16-13(10-14(19)17-12)15-8-6-7-9-18(4)11(2)3/h10-11H,5-9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one has a molecular weight of 266.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).