6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine

C13H22ClN3 — CID 80973311

IUPAC6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)C(C)C
InChIInChI=1S/C13H22ClN3/c1-7(2)10(6)15-13-9(5)11(14)16-12(17-13)8(3)4/h7-8,10H,1-6H3,(H,15,16,17)
InChIKeySIYXURSSVUKSKM-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80973311) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80973311
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC(C)C(C)C
InChIInChI=1S/C13H22ClN3/c1-7(2)10(6)15-13-9(5)11(14)16-12(17-13)8(3)4/h7-8,10H,1-6H3,(H,15,16,17)
InChIKeySIYXURSSVUKSKM-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971108
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 80969834
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80978575
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979448
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 130979497
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80979023

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80973311) is 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC(C)C(C)C.
What is the InChIKey of 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is SIYXURSSVUKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-7(2)10(6)15-13-9(5)11(14)16-12(17-13)8(3)4/h7-8,10H,1-6H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).