N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine

C13H21N3O — CID 112637761

IUPACN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(CC1CC1)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)17-12-6-7-14-13(16-12)15-10(3)8-11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyNEUBRORVVIPWTL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine

N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637761) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112637761
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(CC1CC1)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)17-12-6-7-14-13(16-12)15-10(3)8-11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyNEUBRORVVIPWTL-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 112637409
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 115974723
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-(2-methyloxolan-3-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638391
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine (CID 112637761) is N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine is CC(CC1CC1)Nc1nccc(OC(C)C)n1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is NEUBRORVVIPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)17-12-6-7-14-13(16-12)15-10(3)8-11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine?
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).