6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C19H21N5 — CID 112916762

IUPAC6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccncc2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-12-18(21-13-16-8-10-20-11-9-16)24-19(22-14)23-15(2)17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyYHDTUOWYYWIVEK-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.97
Rot. Bonds6

About 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112916762) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112916762
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccncc2)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-12-18(21-13-16-8-10-20-11-9-16)24-19(22-14)23-15(2)17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyYHDTUOWYYWIVEK-UHFFFAOYSA-N
XLogP3.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112916763
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-(3-methoxypropyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112911706
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916769
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919779
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948202

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112916762) is 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccncc2)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YHDTUOWYYWIVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-12-18(21-13-16-8-10-20-11-9-16)24-19(22-14)23-15(2)17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112916762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).