2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol

C12H21N3O — CID 115623487

IUPAC2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cncnc1
InChIInChI=1S/C12H21N3O/c1-4-10(2)12(3,16)8-13-5-11-6-14-9-15-7-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyMOWGGZBBNMPFMI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds6

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

2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol (PubChem CID 115623487) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
PubChem CID115623487
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cncnc1
InChIInChI=1S/C12H21N3O/c1-4-10(2)12(3,16)8-13-5-11-6-14-9-15-7-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3
InChIKeyMOWGGZBBNMPFMI-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
3-methyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623508
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 79551978
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804
1-[[2-(difluoromethoxy)phenyl]methylamino]-2,3-dimethylpentan-2-ol
CID 111118941
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol (CID 115623487) is 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol is CCC(C)C(C)(O)CNCc1cncnc1.
What is the InChIKey of 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
The InChIKey is MOWGGZBBNMPFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(2)12(3,16)8-13-5-11-6-14-9-15-7-11/h6-7,9-10,13,16H,4-5,8H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol?
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115623487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).