N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 82454241

IUPACN-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1cc(NC2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-11(2)10-20-15-9-14(17-13-7-5-6-8-13)18-16(19-15)12(3)4/h9,11-13H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyHINXNRZWOWSLEV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds6

About N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine

N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82454241) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID82454241
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1cc(NC2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-11(2)10-20-15-9-14(17-13-7-5-6-8-13)18-16(19-15)12(3)4/h9,11-13H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyHINXNRZWOWSLEV-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
N-cyclohexyl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456497
N-cycloheptyl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454224
N-cyclohexyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 82454277
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 82453766
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
N-cyclobutyl-6-methoxy-4-propan-2-ylpyridin-2-amine
CID 130369724
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine (CID 82454241) is N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine is CC(C)COc1cc(NC2CCCC2)nc(C(C)C)n1.
What is the InChIKey of N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HINXNRZWOWSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)10-20-15-9-14(17-13-7-5-6-8-13)18-16(19-15)12(3)4/h9,11-13H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine?
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82454241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).