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

C15H25N3O — CID 112636873

IUPACN-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCCC2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)19-14-10-12(3)17-15(18-14)16-9-8-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyDPKJQXLOQRDIQR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.56
Rot. Bonds6

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

N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636873) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112636873
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCCC2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-11(2)19-14-10-12(3)17-15(18-14)16-9-8-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyDPKJQXLOQRDIQR-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
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-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975281

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 112636873) is N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCCC2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is DPKJQXLOQRDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)19-14-10-12(3)17-15(18-14)16-9-8-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).