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

C15H20N4 — CID 80807590

IUPAC2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1ccnc(NCC)n1
InChIInChI=1S/C15H20N4/c1-3-7-12-8-5-6-9-13(12)18-14-10-11-17-15(19-14)16-4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySGVLKNALAJZQOI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.60
Rot. Bonds6

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

2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (PubChem CID 80807590) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
PubChem CID80807590
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1ccnc(NCC)n1
InChIInChI=1S/C15H20N4/c1-3-7-12-8-5-6-9-13(12)18-14-10-11-17-15(19-14)16-4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySGVLKNALAJZQOI-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
6-fluoro-N-(2-propylphenyl)pyridin-2-amine
CID 54968645
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891823

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (CID 80807590) is 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is CCCc1ccccc1Nc1ccnc(NCC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SGVLKNALAJZQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-7-12-8-5-6-9-13(12)18-14-10-11-17-15(19-14)16-4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).