2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride

C20H23ClN4 — CID 71671107

IUPAC2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2ccnc(Nc3ccc(C)c(C)c3)n2)cc1C.Cl
InChIInChI=1S/C20H22N4.ClH/c1-13-5-7-17(11-15(13)3)22-19-9-10-21-20(24-19)23-18-8-6-14(2)16(4)12-18;/h5-12H,1-4H3,(H2,21,22,23,24);1H
InChIKeyTXADGASBOPXZAV-UHFFFAOYSA-N
MW354.89 g/mol
LogP5.62
Rot. Bonds4

About 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride

2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 71671107) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
PubChem CID71671107
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(Nc2ccnc(Nc3ccc(C)c(C)c3)n2)cc1C.Cl
InChIInChI=1S/C20H22N4.ClH/c1-13-5-7-17(11-15(13)3)22-19-9-10-21-20(24-19)23-18-8-6-14(2)16(4)12-18;/h5-12H,1-4H3,(H2,21,22,23,24);1H
InChIKeyTXADGASBOPXZAV-UHFFFAOYSA-N
XLogP5.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.89
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride (CID 71671107) is 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride is Cc1ccc(Nc2ccnc(Nc3ccc(C)c(C)c3)n2)cc1C.Cl.
What is the InChIKey of 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is TXADGASBOPXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4.ClH/c1-13-5-7-17(11-15(13)3)22-19-9-10-21-20(24-19)23-18-8-6-14(2)16(4)12-18;/h5-12H,1-4H3,(H2,21,22,23,24);1H.
What are the key properties of 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride?
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 354.89 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 71671107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).