3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C13H22ClN3O — CID 114177389

IUPAC3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCc1nc(Cl)c(C)c(NC(CCO)C(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-12(14)9(4)13(17-11)15-10(6-7-18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyNUMZSRHXPCVQEE-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.82
Rot. Bonds6

About 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 114177389) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID114177389
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCc1nc(Cl)c(C)c(NC(CCO)C(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-12(14)9(4)13(17-11)15-10(6-7-18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyNUMZSRHXPCVQEE-UHFFFAOYSA-N
XLogP2.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.82
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
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853
6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
CID 80972613
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854317
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
4-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 114177385
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 114177389) is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is CCc1nc(Cl)c(C)c(NC(CCO)C(C)C)n1.
What is the InChIKey of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is NUMZSRHXPCVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-11-16-12(14)9(4)13(17-11)15-10(6-7-18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 114177389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).