6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine

C15H26ClN3 — CID 80972613

IUPAC6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)CCCC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-13-18-14(16)12(5)15(19-13)17-11(4)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyGPUKGLQVRHHXMO-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.63
Rot. Bonds7

About 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine (PubChem CID 80972613) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
PubChem CID80972613
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)CCCC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-13-18-14(16)12(5)15(19-13)17-11(4)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyGPUKGLQVRHHXMO-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177389
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80987059
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80978575
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine (CID 80972613) is 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC(C)CCCC(C)C)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine?
The InChIKey is GPUKGLQVRHHXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-6-13-18-14(16)12(5)15(19-13)17-11(4)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80972613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).