4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H25N3O2 — CID 136864260

IUPAC4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-14(6-2,9-18)8-15-11-7-12(19)17-13(16-11)10(3)4/h7,10,18H,5-6,8-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyMAKLGHPTMBQTOC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds7

About 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136864260) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136864260
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-5-14(6-2,9-18)8-15-11-7-12(19)17-13(16-11)10(3)4/h7,10,18H,5-6,8-9H2,1-4H3,(H2,15,16,17,19)
InChIKeyMAKLGHPTMBQTOC-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136864260) is 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC(CC)(CO)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MAKLGHPTMBQTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-14(6-2,9-18)8-15-11-7-12(19)17-13(16-11)10(3)4/h7,10,18H,5-6,8-9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136864260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).