4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine

C13H22N4O — CID 114794433

IUPAC4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NCCC2CCCN2)n1
InChIInChI=1S/C13H22N4O/c1-2-10-18-12-6-9-16-13(17-12)15-8-5-11-4-3-7-14-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,15,16,17)
InChIKeyIGZYQAPHDYCOLT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.82
Rot. Bonds7

About 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine

4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine (PubChem CID 114794433) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
PubChem CID114794433
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
SMILESCCCOc1ccnc(NCCC2CCCN2)n1
InChIInChI=1S/C13H22N4O/c1-2-10-18-12-6-9-16-13(17-12)15-8-5-11-4-3-7-14-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,15,16,17)
InChIKeyIGZYQAPHDYCOLT-UHFFFAOYSA-N
XLogP1.82
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine (CID 114794433) is 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine is CCCOc1ccnc(NCCC2CCCN2)n1.
What is the InChIKey of 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is IGZYQAPHDYCOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-10-18-12-6-9-16-13(17-12)15-8-5-11-4-3-7-14-11/h6,9,11,14H,2-5,7-8,10H2,1H3,(H,15,16,17).
What are the key properties of 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 114794433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).