4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one

C13H23N3O2 — CID 136960473

IUPAC4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(N)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,18-5)12-15-10(14)9(8(3)4)11(17)16-12/h8H,6-7H2,1-5H3,(H3,14,15,16,17)
InChIKeyQZWFYGNLSKMYQB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.14
Rot. Bonds5

About 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one

4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136960473) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136960473
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(N)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,18-5)12-15-10(14)9(8(3)4)11(17)16-12/h8H,6-7H2,1-5H3,(H3,14,15,16,17)
InChIKeyQZWFYGNLSKMYQB-UHFFFAOYSA-N
XLogP2.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136960473) is 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one is CCC(CC)(OC)c1nc(N)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QZWFYGNLSKMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-13(7-2,18-5)12-15-10(14)9(8(3)4)11(17)16-12/h8H,6-7H2,1-5H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).