6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C14H18N4 — CID 80791044

IUPAC6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(C)c2)ncn1
InChIInChI=1S/C14H18N4/c1-3-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)7-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyOOSMCGXUSFLBFE-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.83
Rot. Bonds5

About 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80791044) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80791044
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(C)c2)ncn1
InChIInChI=1S/C14H18N4/c1-3-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)7-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyOOSMCGXUSFLBFE-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 80791044) is 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2cccc(C)c2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is OOSMCGXUSFLBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-15-13-8-14(18-10-17-13)16-9-12-6-4-5-11(2)7-12/h4-8,10H,3,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80791044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).