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

C12H21N3O2 — CID 114206309

IUPAC2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCC(OC)c1ncc(CNC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-10(17-4)11-14-7-9(12(16)15-11)6-13-8(2)3/h7-8,10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyPUOMSMCGBVSSKU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds6

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

2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206309) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206309
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCC(OC)c1ncc(CNC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-5-10(17-4)11-14-7-9(12(16)15-11)6-13-8(2)3/h7-8,10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyPUOMSMCGBVSSKU-UHFFFAOYSA-N
XLogP1.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104190010
5-(aminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104253722
N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849279
5-(aminomethyl)-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 113385101

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206309) is 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CCC(OC)c1ncc(CNC(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is PUOMSMCGBVSSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10(17-4)11-14-7-9(12(16)15-11)6-13-8(2)3/h7-8,10,13H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).