2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

C12H21N3O2 — CID 137016467

IUPAC2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-9(8-17-3)13-11-7-12(16)15-10(5-2)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLDECTPMRLOOVDT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.56
Rot. Bonds7

About 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one

2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137016467) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137016467
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(COC)Nc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-9(8-17-3)13-11-7-12(16)15-10(5-2)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLDECTPMRLOOVDT-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818885

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one (CID 137016467) is 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(COC)Nc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is LDECTPMRLOOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-9(8-17-3)13-11-7-12(16)15-10(5-2)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).