4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C17H24N4O — CID 112895475

IUPAC4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-21(5-2)16-11-13-19-17(20-16)18-12-10-14-6-8-15(22-3)9-7-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,18,19,20)
InChIKeyZELFQHUDDOODAV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.99
Rot. Bonds8

About 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112895475) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112895475
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-21(5-2)16-11-13-19-17(20-16)18-12-10-14-6-8-15(22-3)9-7-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,18,19,20)
InChIKeyZELFQHUDDOODAV-UHFFFAOYSA-N
XLogP2.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921378
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 135105675
4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512
2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546276
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112895475) is 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is CCN(CC)c1ccnc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZELFQHUDDOODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-21(5-2)16-11-13-19-17(20-16)18-12-10-14-6-8-15(22-3)9-7-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112895475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).