2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C13H23N3O2 — CID 114206366

IUPAC2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC(C)Cc1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-7-11-8-15-12(16-13(11)17)5-10(3)18-4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyWCTCCYMRZYKTGF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.09
Rot. Bonds7

About 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206366) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206366
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC(C)Cc1ncc(CNCC(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)6-14-7-11-8-15-12(16-13(11)17)5-10(3)18-4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyWCTCCYMRZYKTGF-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
4-Hydroxy-N-(3-isopropoxypropyl)-2-methylpyrimidine-5-carboxamide
CID 72934942
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(aminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 82503878
2-cyclopropyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 83875150
5-(methylaminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 84110338
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84114363
5-(aminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102929357
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 114206366) is 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is COC(C)Cc1ncc(CNCC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is WCTCCYMRZYKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)6-14-7-11-8-15-12(16-13(11)17)5-10(3)18-4/h8-10,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).