2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C21H25N5 — CID 112873280

IUPAC2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccn2)cc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H25N5/c1-14(2)18-10-7-8-15(3)21(18)26-20-12-19(24-16(4)25-20)23-13-17-9-5-6-11-22-17/h5-12,14H,13H2,1-4H3,(H2,23,24,25,26)
InChIKeyDOFDOSCOQHIJDH-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.97
Rot. Bonds6

About 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873280) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873280
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccn2)cc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H25N5/c1-14(2)18-10-7-8-15(3)21(18)26-20-12-19(24-16(4)25-20)23-13-17-9-5-6-11-22-17/h5-12,14H,13H2,1-4H3,(H2,23,24,25,26)
InChIKeyDOFDOSCOQHIJDH-UHFFFAOYSA-N
XLogP4.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868133
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
4-N-(3-bromophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873333
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873291
6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
2-methyl-4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873254
N-(2-methyl-6-propan-2-ylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112873280) is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCc2ccccn2)cc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is DOFDOSCOQHIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14(2)18-10-7-8-15(3)21(18)26-20-12-19(24-16(4)25-20)23-13-17-9-5-6-11-22-17/h5-12,14H,13H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).