4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine

C21H19N7 — CID 166272871

IUPAC4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCc2ccnc(-c3ccccn3)n2)ncn1
InChIInChI=1S/C21H19N7/c1-28(17-7-3-2-4-8-17)20-13-19(25-15-26-20)24-14-16-10-12-23-21(27-16)18-9-5-6-11-22-18/h2-13,15H,14H2,1H3,(H,24,25,26)
InChIKeyPQZPKZOPZOOWPF-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.71
Rot. Bonds6

About 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine

4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 166272871) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID166272871
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCc2ccnc(-c3ccccn3)n2)ncn1
InChIInChI=1S/C21H19N7/c1-28(17-7-3-2-4-8-17)20-13-19(25-15-26-20)24-14-16-10-12-23-21(27-16)18-9-5-6-11-22-18/h2-13,15H,14H2,1H3,(H,24,25,26)
InChIKeyPQZPKZOPZOOWPF-UHFFFAOYSA-N
XLogP3.71
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
6-N-ethyl-4-N-methyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 115265672
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
N-[3-fluoro-2-[[[6-(N-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 167844358
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
N-[6-(benzylamino)pyrimidin-4-yl]-N-methylnitrous amide
CID 102450371
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine (CID 166272871) is 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine is CN(c1ccccc1)c1cc(NCc2ccnc(-c3ccccn3)n2)ncn1.
What is the InChIKey of 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is PQZPKZOPZOOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-28(17-7-3-2-4-8-17)20-13-19(25-15-26-20)24-14-16-10-12-23-21(27-16)18-9-5-6-11-22-18/h2-13,15H,14H2,1H3,(H,24,25,26).
What are the key properties of 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine?
4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 369.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-6-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 166272871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).