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

C18H19N5 — CID 112890680

IUPAC2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(NCc2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H19N5/c1-14(15-7-3-2-4-8-15)22-18-20-12-10-17(23-18)21-13-16-9-5-6-11-19-16/h2-12,14H,13H2,1H3,(H2,20,21,22,23)
InChIKeyIUQGMOPDASNMDG-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.66
Rot. Bonds6

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

2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112890680) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112890680
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(NCc2ccccn2)n1)c1ccccc1
InChIInChI=1S/C18H19N5/c1-14(15-7-3-2-4-8-15)22-18-20-12-10-17(23-18)21-13-16-9-5-6-11-19-16/h2-12,14H,13H2,1H3,(H2,20,21,22,23)
InChIKeyIUQGMOPDASNMDG-UHFFFAOYSA-N
XLogP3.66
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
6-phenyl-4-N-(1-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936948
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
3-[[(1R)-1-phenylethyl]amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98298985
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890739
2-N-[4-(dimethylamino)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893245
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112890680) is 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CC(Nc1nccc(NCc2ccccn2)n1)c1ccccc1.
What is the InChIKey of 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is IUQGMOPDASNMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-14(15-7-3-2-4-8-15)22-18-20-12-10-17(23-18)21-13-16-9-5-6-11-19-16/h2-12,14H,13H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 305.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).