[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol

C13H23N3O — CID 83184985

IUPAC[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3
InChIKeyDGWKUCUZSYQAMJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.15
Rot. Bonds6

About [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol

[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184985) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83184985
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3
InChIKeyDGWKUCUZSYQAMJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
CID 83185065
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
5-(2-aminopropyl)-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 113388556
[4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]methanol
CID 83184457
[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 79481173
5-[(1R)-1-aminoethyl]-N,N-diethyl-4-methylpyrimidin-2-amine
CID 94587541
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83183770

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol (CID 83184985) is [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol is CCC(C)CN(CC)c1ncc(CO)c(C)n1.
What is the InChIKey of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is DGWKUCUZSYQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3.
What are the key properties of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).