4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine

C22H24N4O — CID 112935698

IUPAC4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2cc(-c3ccccc3)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-8-17(9-4-1)15-23-21-14-20(18-10-5-2-6-11-18)25-22(26-21)24-16-19-12-7-13-27-19/h1-6,8-11,14,19H,7,12-13,15-16H2,(H2,23,24,25,26)
InChIKeyVRXWIOCZXDTFSJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.35
Rot. Bonds7

About 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine

4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935698) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935698
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2cc(-c3ccccc3)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-8-17(9-4-1)15-23-21-14-20(18-10-5-2-6-11-18)25-22(26-21)24-16-19-12-7-13-27-19/h1-6,8-11,14,19H,7,12-13,15-16H2,(H2,23,24,25,26)
InChIKeyVRXWIOCZXDTFSJ-UHFFFAOYSA-N
XLogP4.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(oxolan-2-ylmethyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112935622
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932649
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935690
2-N-[2-(dimethylamino)ethyl]-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935599
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
2-N-[3-(dimethylamino)propyl]-4-N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidine-2,4-diamine
CID 124749031
2-N-(2,6-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935652
2-N-(3,4-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935650
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934822
2-[[4-(oxolan-2-ylmethylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112935683
2-N-(3,4-difluorophenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935688

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine (CID 112935698) is 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine is c1ccc(CNc2cc(-c3ccccc3)nc(NCC3CCCO3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is VRXWIOCZXDTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-8-17(9-4-1)15-23-21-14-20(18-10-5-2-6-11-18)25-22(26-21)24-16-19-12-7-13-27-19/h1-6,8-11,14,19H,7,12-13,15-16H2,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 360.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).