4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine

C14H24N4O — CID 112638621

IUPAC4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCCCOc1ccnc(N(CCC)C2CCNC2)n1
InChIInChI=1S/C14H24N4O/c1-3-9-18(12-5-7-15-11-12)14-16-8-6-13(17-14)19-10-4-2/h6,8,12,15H,3-5,7,9-11H2,1-2H3
InChIKeyZQSYLGMZWXBQKP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds7

About 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine

4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 112638621) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID112638621
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCCCOc1ccnc(N(CCC)C2CCNC2)n1
InChIInChI=1S/C14H24N4O/c1-3-9-18(12-5-7-15-11-12)14-16-8-6-13(17-14)19-10-4-2/h6,8,12,15H,3-5,7,9-11H2,1-2H3
InChIKeyZQSYLGMZWXBQKP-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
CID 115975387

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 112638621) is 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine is CCCOc1ccnc(N(CCC)C2CCNC2)n1.
What is the InChIKey of 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is ZQSYLGMZWXBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-9-18(12-5-7-15-11-12)14-16-8-6-13(17-14)19-10-4-2/h6,8,12,15H,3-5,7,9-11H2,1-2H3.
What are the key properties of 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 112638621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).