2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol

C14H25N3O2 — CID 62088140

IUPAC2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C14H25N3O2/c1-4-5-6-17(7-8-18)13-9-15-14(11(2)3)16-12(13)10-19/h9,11,18-19H,4-8,10H2,1-3H3
InChIKeyJWBCBZDDYWEGJM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.69
Rot. Bonds8

About 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol

2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol (PubChem CID 62088140) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
PubChem CID62088140
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C14H25N3O2/c1-4-5-6-17(7-8-18)13-9-15-14(11(2)3)16-12(13)10-19/h9,11,18-19H,4-8,10H2,1-3H3
InChIKeyJWBCBZDDYWEGJM-UHFFFAOYSA-N
XLogP1.69
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286657
(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
CID 62087433
1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
CID 79390588
[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088137
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087264
[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088677

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol (CID 62088140) is 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol is CCCCN(CCO)c1cnc(C(C)C)nc1CO.
What is the InChIKey of 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol?
The InChIKey is JWBCBZDDYWEGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-6-17(7-8-18)13-9-15-14(11(2)3)16-12(13)10-19/h9,11,18-19H,4-8,10H2,1-3H3.
What are the key properties of 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol?
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 62088140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).