4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine

C24H31N5 — CID 112935970

IUPAC4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H31N5/c1-24(2,3)19-11-13-20(14-12-19)26-22-17-21(18-9-7-6-8-10-18)27-23(28-22)25-15-16-29(4)5/h6-14,17H,15-16H2,1-5H3,(H2,25,26,27,28)
InChIKeyCYCKDQSMHMYGHN-UHFFFAOYSA-N
MW389.55 g/mol
LogP5.16
Rot. Bonds7

About 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine

4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935970) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112935970
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESCN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H31N5/c1-24(2,3)19-11-13-20(14-12-19)26-22-17-21(18-9-7-6-8-10-18)27-23(28-22)25-15-16-29(4)5/h6-14,17H,15-16H2,1-5H3,(H2,25,26,27,28)
InChIKeyCYCKDQSMHMYGHN-UHFFFAOYSA-N
XLogP5.16
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
4-N-[2-(dimethylamino)ethyl]-2-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935842
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
2-N-[2-(dimethylamino)ethyl]-4-N-(2-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935986
4-N-(1,3-benzodioxol-5-yl)-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936235
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine (CID 112935970) is 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine is CN(C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is CYCKDQSMHMYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-24(2,3)19-11-13-20(14-12-19)26-22-17-21(18-9-7-6-8-10-18)27-23(28-22)25-15-16-29(4)5/h6-14,17H,15-16H2,1-5H3,(H2,25,26,27,28).
What are the key properties of 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine?
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 389.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).