3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol

C13H23N3O — CID 106284785

IUPAC3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccnc(C)n1
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-14-8-12-6-7-15-10(3)16-12/h6-7,11,13-14,17H,4-5,8-9H2,1-3H3
InChIKeyZDKIUXHHKMBNSA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds7

About 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol

3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol (PubChem CID 106284785) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
PubChem CID106284785
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccnc(C)n1
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-14-8-12-6-7-15-10(3)16-12/h6-7,11,13-14,17H,4-5,8-9H2,1-3H3
InChIKeyZDKIUXHHKMBNSA-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
CID 81419018
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 55109777
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
N-[(5-ethylfuran-2-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 62344748
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol (CID 106284785) is 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol is CCC(CC)C(O)CNCc1ccnc(C)n1.
What is the InChIKey of 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The InChIKey is ZDKIUXHHKMBNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-14-8-12-6-7-15-10(3)16-12/h6-7,11,13-14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106284785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).