3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol

C13H23N3O2 — CID 66329217

IUPAC3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H23N3O2/c1-5-13(17,6-2)8-14-11-7-12(16-9-15-11)18-10(3)4/h7,9-10,17H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeySTNLOZPAUWGGQZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.23
Rot. Bonds7

About 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 66329217) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID66329217
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H23N3O2/c1-5-13(17,6-2)8-14-11-7-12(16-9-15-11)18-10(3)4/h7,9-10,17H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeySTNLOZPAUWGGQZ-UHFFFAOYSA-N
XLogP2.23
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol with MolForge

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Related Compounds

2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 104917606
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 66329217) is 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cc(OC(C)C)ncn1.
What is the InChIKey of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is STNLOZPAUWGGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-13(17,6-2)8-14-11-7-12(16-9-15-11)18-10(3)4/h7,9-10,17H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 66329217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).