4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

C16H15N5 — CID 174921115

IUPAC4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C16H15N5/c17-16-19-10-7-15(21-16)20-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-10H,11H2,(H3,17,19,20,21)
InChIKeyLTKDNUKLBBDGAE-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.79
Rot. Bonds4

About 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine

4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 174921115) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID174921115
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1nccc(Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C16H15N5/c17-16-19-10-7-15(21-16)20-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-10H,11H2,(H3,17,19,20,21)
InChIKeyLTKDNUKLBBDGAE-UHFFFAOYSA-N
XLogP2.79
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-2-amine
CID 82535700
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
CID 91537514
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741
N-[4-(chloromethyl)phenyl]-2-methylpyrimidin-4-amine
CID 65029159

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine (CID 174921115) is 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine is Nc1nccc(Nc2ccc(Cc3ccncc3)cc2)n1.
What is the InChIKey of 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is LTKDNUKLBBDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-16-19-10-7-15(21-16)20-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-10H,11H2,(H3,17,19,20,21).
What are the key properties of 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine?
4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 174921115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).