N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

C17H29N3O — CID 115975246

IUPACN-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)CC1(CNc2nccc(OC(C)C)n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-13(2)11-17(8-5-6-9-17)12-19-16-18-10-7-15(20-16)21-14(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyJKRPZIRWIVPNGR-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.28
Rot. Bonds7

About N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975246) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975246
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)CC1(CNc2nccc(OC(C)C)n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-13(2)11-17(8-5-6-9-17)12-19-16-18-10-7-15(20-16)21-14(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyJKRPZIRWIVPNGR-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 115975246) is N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)CC1(CNc2nccc(OC(C)C)n2)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is JKRPZIRWIVPNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)11-17(8-5-6-9-17)12-19-16-18-10-7-15(20-16)21-14(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 291.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).