N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine

C13H21N3O — CID 66330794

IUPACN-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(CC1CC1)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H21N3O/c1-9(2)17-13-7-12(14-8-15-13)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyURSPCJHQJFQEGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine

N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66330794) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66330794
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(CC1CC1)Nc1cc(OC(C)C)ncn1
InChIInChI=1S/C13H21N3O/c1-9(2)17-13-7-12(14-8-15-13)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyURSPCJHQJFQEGH-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

1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329609
6-propan-2-yloxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66329378
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330565
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
CID 66329750
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine (CID 66330794) is N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine is CC(CC1CC1)Nc1cc(OC(C)C)ncn1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is URSPCJHQJFQEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)17-13-7-12(14-8-15-13)16-10(3)6-11-4-5-11/h7-11H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine?
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-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)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66330794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).