4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine

C16H21N5O — CID 67428226

IUPAC4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
SMILESNc1ncc(N)c(-c2cccc(OCCN3CCCC3)c2)n1
InChIInChI=1S/C16H21N5O/c17-14-11-19-16(18)20-15(14)12-4-3-5-13(10-12)22-9-8-21-6-1-2-7-21/h3-5,10-11H,1-2,6-9,17H2,(H2,18,19,20)
InChIKeyVVCYIZMBZCQLNX-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.78
Rot. Bonds5

About 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine

4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine (PubChem CID 67428226) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
PubChem CID67428226
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
SMILESNc1ncc(N)c(-c2cccc(OCCN3CCCC3)c2)n1
InChIInChI=1S/C16H21N5O/c17-14-11-19-16(18)20-15(14)12-4-3-5-13(10-12)22-9-8-21-6-1-2-7-21/h3-5,10-11H,1-2,6-9,17H2,(H2,18,19,20)
InChIKeyVVCYIZMBZCQLNX-UHFFFAOYSA-N
XLogP1.78
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107
2,4-diamino-6-[3-(2-piperidin-1-ylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397668
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
2,4-diamino-6-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397675
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403649
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139
3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789037
5-[3-(2-aminoethoxy)phenyl]pyrimidine-2,4-diamine
CID 22607574
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The IUPAC name of 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine (CID 67428226) is 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The canonical SMILES for 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine is Nc1ncc(N)c(-c2cccc(OCCN3CCCC3)c2)n1.
What is the InChIKey of 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The InChIKey is VVCYIZMBZCQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-14-11-19-16(18)20-15(14)12-4-3-5-13(10-12)22-9-8-21-6-1-2-7-21/h3-5,10-11H,1-2,6-9,17H2,(H2,18,19,20).
What are the key properties of 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine has a molecular weight of 299.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 67428226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).