4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine

C18H27N5 — CID 112881982

IUPAC4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccc(N(CC)CC)cc2C)n1
InChIInChI=1S/C18H27N5/c1-5-11-19-18-20-12-10-17(22-18)21-16-9-8-15(13-14(16)4)23(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyWWHADLOYFVFNDD-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.20
Rot. Bonds8

About 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112881982) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID112881982
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccc(N(CC)CC)cc2C)n1
InChIInChI=1S/C18H27N5/c1-5-11-19-18-20-12-10-17(22-18)21-16-9-8-15(13-14(16)4)23(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyWWHADLOYFVFNDD-UHFFFAOYSA-N
XLogP4.20
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890511
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892245
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902106

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine (CID 112881982) is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2ccc(N(CC)CC)cc2C)n1.
What is the InChIKey of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is WWHADLOYFVFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-11-19-18-20-12-10-17(22-18)21-16-9-8-15(13-14(16)4)23(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 313.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).