4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine

C14H23N3O — CID 112638177

IUPAC4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-6-9-18-10-7-8-15-12(16-10)17-11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyDILYCGVXERTKAX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.11
Rot. Bonds5

About 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine

4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine (PubChem CID 112638177) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
PubChem CID112638177
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-6-9-18-10-7-8-15-12(16-10)17-11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyDILYCGVXERTKAX-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine (CID 112638177) is 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine is CCCOc1ccnc(NC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine?
The InChIKey is DILYCGVXERTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-9-18-10-7-8-15-12(16-10)17-11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3,(H,15,16,17).
What are the key properties of 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine?
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 112638177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).