4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H25N3O2 — CID 136824092

IUPAC4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C(C)C)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18)
InChIKeyWFVMOUCMNCOWKW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds7

About 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136824092) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136824092
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOCC(Nc1cc(=O)[nH]c(C(C)C)n1)C(C)C
InChIInChI=1S/C14H25N3O2/c1-6-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18)
InChIKeyWFVMOUCMNCOWKW-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
4-[2-[di(propan-2-yl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241885
2-propan-2-yl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604863
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
4-[2-(methylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586300
4-[2-(ethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586329
2-ethyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586382
2-cyclopropyl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586383

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136824092) is 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCOCC(Nc1cc(=O)[nH]c(C(C)C)n1)C(C)C.
What is the InChIKey of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WFVMOUCMNCOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-19-8-11(9(2)3)15-12-7-13(18)17-14(16-12)10(4)5/h7,9-11H,6,8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136824092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).