N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine

C14H23N3O — CID 112638202

IUPACN-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCCC2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-4-10-18-12-7-9-15-13(17-12)16-11-6-5-8-14(11,2)3/h7,9,11H,4-6,8,10H2,1-3H3,(H,15,16,17)
InChIKeyNXXFEAOYYPYCRV-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.26
Rot. Bonds5

About N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine

N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine (PubChem CID 112638202) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
PubChem CID112638202
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCCC2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-4-10-18-12-7-9-15-13(17-12)16-11-6-5-8-14(11,2)3/h7,9,11H,4-6,8,10H2,1-3H3,(H,15,16,17)
InChIKeyNXXFEAOYYPYCRV-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine (CID 112638202) is N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC2CCCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine?
The InChIKey is NXXFEAOYYPYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-10-18-12-7-9-15-13(17-12)16-11-6-5-8-14(11,2)3/h7,9,11H,4-6,8,10H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine?
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).