4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine

C15H21N5 — CID 115379724

IUPAC4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H21N5/c1-5-12-14(16)17-9-18-15(12)19-11-7-6-10(2)13(8-11)20(3)4/h6-9H,5H2,1-4H3,(H3,16,17,18,19)
InChIKeyTUHXXYWYOGRYDM-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.74
Rot. Bonds4

About 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine (PubChem CID 115379724) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
PubChem CID115379724
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H21N5/c1-5-12-14(16)17-9-18-15(12)19-11-7-6-10(2)13(8-11)20(3)4/h6-9H,5H2,1-4H3,(H3,16,17,18,19)
InChIKeyTUHXXYWYOGRYDM-UHFFFAOYSA-N
XLogP2.74
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine (CID 115379724) is 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine?
The InChIKey is TUHXXYWYOGRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-5-12-14(16)17-9-18-15(12)19-11-7-6-10(2)13(8-11)20(3)4/h6-9H,5H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115379724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).