2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol

C13H23N3O — CID 133403070

IUPAC2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol
SMILESCc1cnc(NCC(C)(O)CCC(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-13(4,17)9-16-12-14-7-11(3)8-15-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,14,15,16)
InChIKeyHNCBBOYSLRKJQR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.38
Rot. Bonds6

About 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol

2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol (PubChem CID 133403070) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol
PubChem CID133403070
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol
SMILESCc1cnc(NCC(C)(O)CCC(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-10(2)5-6-13(4,17)9-16-12-14-7-11(3)8-15-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,14,15,16)
InChIKeyHNCBBOYSLRKJQR-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
2-N,2-dimethyl-1-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 116975426
2,2-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 115427683
2,5,8-trimethylnonan-5-ol
CID 58574498
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
CID 66178619
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111841005
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150
(2S)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 99719031
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 79563360

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol (CID 133403070) is 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol is Cc1cnc(NCC(C)(O)CCC(C)C)nc1.
What is the InChIKey of 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol?
The InChIKey is HNCBBOYSLRKJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)5-6-13(4,17)9-16-12-14-7-11(3)8-15-12/h7-8,10,17H,5-6,9H2,1-4H3,(H,14,15,16).
What are the key properties of 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol?
2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol is sourced from PubChem (CID 133403070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).