2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C14H24ClN3O — CID 114156614

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NC(CO)CC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(8-19)7-9(2)3/h9,11,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyXLOMYOGGHBQVLA-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.21
Rot. Bonds7

About 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 114156614) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID114156614
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NC(CO)CC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(8-19)7-9(2)3/h9,11,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyXLOMYOGGHBQVLA-UHFFFAOYSA-N
XLogP3.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80978749
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80979585
2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212333
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 114156614) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is CCCc1nc(Cl)c(C)c(NC(CO)CC(C)C)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is XLOMYOGGHBQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-6-12-17-13(15)10(4)14(18-12)16-11(8-19)7-9(2)3/h9,11,19H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 114156614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).