4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine

C17H24N4 — CID 80826529

IUPAC4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccccc1)c1nc(NCC)ncc1C
InChIInChI=1S/C17H24N4/c1-4-6-12-21(15-10-8-7-9-11-15)16-14(3)13-19-17(20-16)18-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20)
InChIKeyMQXYXRBDKTXELE-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.16
Rot. Bonds7

About 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine

4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 80826529) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID80826529
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccccc1)c1nc(NCC)ncc1C
InChIInChI=1S/C17H24N4/c1-4-6-12-21(15-10-8-7-9-11-15)16-14(3)13-19-17(20-16)18-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20)
InChIKeyMQXYXRBDKTXELE-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
5-chloro-4-N-ethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80755875
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
[5-bromo-2-(N-butylanilino)-3-pyridinyl]methanol
CID 64585227

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 80826529) is 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine is CCCCN(c1ccccc1)c1nc(NCC)ncc1C.
What is the InChIKey of 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is MQXYXRBDKTXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-12-21(15-10-8-7-9-11-15)16-14(3)13-19-17(20-16)18-5-2/h7-11,13H,4-6,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine?
4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 80826529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).