2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine

C20H20N6 — CID 16736452

IUPAC2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
SMILESCc1ccc(/C=N/Nc2ccnc(N/N=C/c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N6/c1-15-3-7-17(8-4-15)13-22-25-19-11-12-21-20(24-19)26-23-14-18-9-5-16(2)6-10-18/h3-14H,1-2H3,(H2,21,24,25,26)/b22-13+,23-14+
InChIKeyDVBQFQDFNYNSSD-MSKUYSOUSA-N
MW344.42 g/mol
LogP3.99
Rot. Bonds6

About 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine

2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine (PubChem CID 16736452) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
PubChem CID16736452
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
SMILESCc1ccc(/C=N/Nc2ccnc(N/N=C/c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C20H20N6/c1-15-3-7-17(8-4-15)13-22-25-19-11-12-21-20(24-19)26-23-14-18-9-5-16(2)6-10-18/h3-14H,1-2H3,(H2,21,24,25,26)/b22-13+,23-14+
InChIKeyDVBQFQDFNYNSSD-MSKUYSOUSA-N
XLogP3.99
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]pyrimidine-2,4-diamine
CID 98574411
2-N,4-N-bis[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]pyrimidine-2,4-diamine
CID 5478013
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976033
6-chloro-4-N-[(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 137318867
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
N-[(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)pyrimidin-2-amine
CID 74397084
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
CID 137309685
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
2-[(2E)-2-benzylidenehydrazinyl]pyrimidine-4-carboxylic acid
CID 127030290
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine (CID 16736452) is 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine is Cc1ccc(/C=N/Nc2ccnc(N/N=C/c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine?
The InChIKey is DVBQFQDFNYNSSD-MSKUYSOUSA-N. The full InChI is InChI=1S/C20H20N6/c1-15-3-7-17(8-4-15)13-22-25-19-11-12-21-20(24-19)26-23-14-18-9-5-16(2)6-10-18/h3-14H,1-2H3,(H2,21,24,25,26)/b22-13+,23-14+.
What are the key properties of 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine?
2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine is sourced from PubChem (CID 16736452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).