2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine

C18H19N5 — CID 166471236

IUPAC2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
SMILESCCCc1ccc(Nc2ncc(Nc3ccncc3)cn2)cc1
InChIInChI=1S/C18H19N5/c1-2-3-14-4-6-15(7-5-14)23-18-20-12-17(13-21-18)22-16-8-10-19-11-9-16/h4-13H,2-3H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySNAQBHBIPOZDLJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.31
Rot. Bonds6

About 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine

2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine (PubChem CID 166471236) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
PubChem CID166471236
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine
SMILESCCCc1ccc(Nc2ncc(Nc3ccncc3)cn2)cc1
InChIInChI=1S/C18H19N5/c1-2-3-14-4-6-15(7-5-14)23-18-20-12-17(13-21-18)22-16-8-10-19-11-9-16/h4-13H,2-3H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySNAQBHBIPOZDLJ-UHFFFAOYSA-N
XLogP4.31
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
N-(4-butylphenyl)-5-nitropyrimidin-2-amine
CID 133466896
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
2-N-(4-propylphenyl)pyrazine-2,5-diamine
CID 80653384
N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 123186486
5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
CID 166471120
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
3-N-(5-propylpyrimidin-2-yl)benzene-1,3-diamine
CID 116974873
5-N-pyridin-4-ylpyridine-2,5-diamine
CID 157044119
N-methoxy-4-propylaniline
CID 143258857

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine (CID 166471236) is 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine is CCCc1ccc(Nc2ncc(Nc3ccncc3)cn2)cc1.
What is the InChIKey of 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine?
The InChIKey is SNAQBHBIPOZDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-3-14-4-6-15(7-5-14)23-18-20-12-17(13-21-18)22-16-8-10-19-11-9-16/h4-13H,2-3H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine?
2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine has a molecular weight of 305.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propylphenyl)-5-N-pyridin-4-ylpyrimidine-2,5-diamine is sourced from PubChem (CID 166471236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).