3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol

C11H19N3O — CID 115623508

IUPAC3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(O)CNCc1cncnc1
InChIInChI=1S/C11H19N3O/c1-3-9(2)11(15)7-12-4-10-5-13-8-14-6-10/h5-6,8-9,11-12,15H,3-4,7H2,1-2H3
InChIKeyIOVNJOCGYQUBMZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds6

About 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol

3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol (PubChem CID 115623508) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
PubChem CID115623508
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(O)CNCc1cncnc1
InChIInChI=1S/C11H19N3O/c1-3-9(2)11(15)7-12-4-10-5-13-8-14-6-10/h5-6,8-9,11-12,15H,3-4,7H2,1-2H3
InChIKeyIOVNJOCGYQUBMZ-UHFFFAOYSA-N
XLogP0.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 63982340
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
3-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118983
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62761015
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
1-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylpentan-2-ol
CID 111119053
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The IUPAC name of 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol (CID 115623508) is 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The canonical SMILES for 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol is CCC(C)C(O)CNCc1cncnc1.
What is the InChIKey of 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The InChIKey is IOVNJOCGYQUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(2)11(15)7-12-4-10-5-13-8-14-6-10/h5-6,8-9,11-12,15H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115623508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).