4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine

C23H26N4O — CID 112880661

IUPAC4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-27(19-12-7-4-8-13-19)22-16-21(24-17-20-14-9-15-28-20)25-23(26-22)18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3,(H,24,25,26)
InChIKeyYURDYSIUPYPELA-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.89
Rot. Bonds7

About 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine

4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine (PubChem CID 112880661) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
PubChem CID112880661
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-27(19-12-7-4-8-13-19)22-16-21(24-17-20-14-9-15-28-20)25-23(26-22)18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3,(H,24,25,26)
InChIKeyYURDYSIUPYPELA-UHFFFAOYSA-N
XLogP4.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
3-N-ethyl-5-N-(oxolan-2-ylmethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112944434
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
4-N-(2-ethoxyphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880675
6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
4-N-(4-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880669
4-N-(3-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880667
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine (CID 112880661) is 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCC2CCCO2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine?
The InChIKey is YURDYSIUPYPELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-27(19-12-7-4-8-13-19)22-16-21(24-17-20-14-9-15-28-20)25-23(26-22)18-10-5-3-6-11-18/h3-8,10-13,16,20H,2,9,14-15,17H2,1H3,(H,24,25,26).
What are the key properties of 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine has a molecular weight of 374.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).