2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112919784

IUPAC2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nc(C)cc(NCc2ccncc2)n1
InChIInChI=1S/C20H23N5/c1-4-17-7-5-6-14(2)19(17)25-20-23-15(3)12-18(24-20)22-13-16-8-10-21-11-9-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyLUQLJJOVPOKHJQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.41
Rot. Bonds6

About 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919784) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919784
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1nc(C)cc(NCc2ccncc2)n1
InChIInChI=1S/C20H23N5/c1-4-17-7-5-6-14(2)19(17)25-20-23-15(3)12-18(24-20)22-13-16-8-10-21-11-9-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyLUQLJJOVPOKHJQ-UHFFFAOYSA-N
XLogP4.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919939
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919779
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919628
2-N-(2,6-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918471
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918816
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
methyl 4-[[2-(2-ethyl-6-methylanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112928934
4-N-[(4-methoxyphenyl)methyl]-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112918480

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112919784) is 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1nc(C)cc(NCc2ccncc2)n1.
What is the InChIKey of 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LUQLJJOVPOKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-17-7-5-6-14(2)19(17)25-20-23-15(3)12-18(24-20)22-13-16-8-10-21-11-9-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).