2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C15H25N3O2 — CID 136965445

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CNCC(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-14(11-5-6-11)15-17-12(7-13(19)18-15)9-16-8-10(2)3/h7,10-11,14,16H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyJNJCYQVGZQQWHL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.00
Rot. Bonds8

About 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136965445) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136965445
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CNCC(C)C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-14(11-5-6-11)15-17-12(7-13(19)18-15)9-16-8-10(2)3/h7,10-11,14,16H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyJNJCYQVGZQQWHL-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 136965445) is 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is CCOC(c1nc(CNCC(C)C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is JNJCYQVGZQQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-14(11-5-6-11)15-17-12(7-13(19)18-15)9-16-8-10(2)3/h7,10-11,14,16H,4-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).