5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C19H21N5O — CID 117087930

IUPAC5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2cccnc2)nc1NCCOc1ccccc1
InChIInChI=1S/C19H21N5O/c1-15-12-22-19(23-14-16-6-5-9-20-13-16)24-18(15)21-10-11-25-17-7-3-2-4-8-17/h2-9,12-13H,10-11,14H2,1H3,(H2,21,22,23,24)
InChIKeyMKRZHEOJSCMUKF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds8

About 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 117087930) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID117087930
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2cccnc2)nc1NCCOc1ccccc1
InChIInChI=1S/C19H21N5O/c1-15-12-22-19(23-14-16-6-5-9-20-13-16)24-18(15)21-10-11-25-17-7-3-2-4-8-17/h2-9,12-13H,10-11,14H2,1H3,(H2,21,22,23,24)
InChIKeyMKRZHEOJSCMUKF-UHFFFAOYSA-N
XLogP3.28
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117089684
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813
5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117093089
5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 117085027
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
CID 146184524
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235487
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
4-N-[(3-methoxyphenyl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80773950

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 117087930) is 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(NCc2cccnc2)nc1NCCOc1ccccc1.
What is the InChIKey of 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MKRZHEOJSCMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-12-22-19(23-14-16-6-5-9-20-13-16)24-18(15)21-10-11-25-17-7-3-2-4-8-17/h2-9,12-13H,10-11,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117087930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).