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

C21H25N5 — CID 112919288

IUPAC4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(Cc2ccccc2)C(C)C)nc(NCc2ccccn2)n1
InChIInChI=1S/C21H25N5/c1-16(2)26(15-18-9-5-4-6-10-18)20-13-17(3)24-21(25-20)23-14-19-11-7-8-12-22-19/h4-13,16H,14-15H2,1-3H3,(H,23,24,25)
InChIKeyIQNGFBBYCFYKCN-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.21
Rot. Bonds7

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

4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919288) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919288
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(Cc2ccccc2)C(C)C)nc(NCc2ccccn2)n1
InChIInChI=1S/C21H25N5/c1-16(2)26(15-18-9-5-4-6-10-18)20-13-17(3)24-21(25-20)23-14-19-11-7-8-12-22-19/h4-13,16H,14-15H2,1-3H3,(H,23,24,25)
InChIKeyIQNGFBBYCFYKCN-UHFFFAOYSA-N
XLogP4.21
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893329
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
CID 113379293
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112921209
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112872175

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919288) is 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(N(Cc2ccccc2)C(C)C)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IQNGFBBYCFYKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16(2)26(15-18-9-5-4-6-10-18)20-13-17(3)24-21(25-20)23-14-19-11-7-8-12-22-19/h4-13,16H,14-15H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).