2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine

C14H18N4 — CID 80780741

IUPAC2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2ccnc(NC)n2)cc1
InChIInChI=1S/C14H18N4/c1-3-4-11-5-7-12(8-6-11)17-13-9-10-16-14(15-2)18-13/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyUCBPCNLILXFKOI-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.21
Rot. Bonds5

About 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine (PubChem CID 80780741) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
PubChem CID80780741
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccc(Nc2ccnc(NC)n2)cc1
InChIInChI=1S/C14H18N4/c1-3-4-11-5-7-12(8-6-11)17-13-9-10-16-14(15-2)18-13/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyUCBPCNLILXFKOI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80769352
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 55053308

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine (CID 80780741) is 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine is CCCc1ccc(Nc2ccnc(NC)n2)cc1.
What is the InChIKey of 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
The InChIKey is UCBPCNLILXFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-4-11-5-7-12(8-6-11)17-13-9-10-16-14(15-2)18-13/h5-10H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80780741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).