6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine

C13H21N3 — CID 115697112

IUPAC6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)C2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3/c1-8(2)13-14-10(4)7-12(16-13)15-11-5-9(3)6-11/h7-9,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyLSHSOSHSYHMMRZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds3

About 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 115697112) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID115697112
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)C2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3/c1-8(2)13-14-10(4)7-12(16-13)15-11-5-9(3)6-11/h7-9,11H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyLSHSOSHSYHMMRZ-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103889167
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 43395250
6-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395279
N-(1-ethylpiperidin-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015
6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 60651523
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281627
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840343
6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951804
6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978639

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine (CID 115697112) is 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NC2CC(C)C2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LSHSOSHSYHMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)13-14-10(4)7-12(16-13)15-11-5-9(3)6-11/h7-9,11H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115697112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).