N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C13H21N3O — CID 112636641

IUPACN-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)17-12-7-10(3)15-13(16-12)14-8-11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyOXIKQAFLNWCSDI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds5

About N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636641) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112636641
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)17-12-7-10(3)15-13(16-12)14-8-11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyOXIKQAFLNWCSDI-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975281
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 112636641) is N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is OXIKQAFLNWCSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)17-12-7-10(3)15-13(16-12)14-8-11-5-4-6-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).