6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine

C23H26N4O — CID 112880613

IUPAC6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-8-5-6-11-19(17)15-24-21-14-22(25-16-20-12-7-13-28-20)27-23(26-21)18-9-3-2-4-10-18/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyPXXVZRPLDPNRIG-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.66
Rot. Bonds7

About 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine

6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880613) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880613
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17-8-5-6-11-19(17)15-24-21-14-22(25-16-20-12-7-13-28-20)27-23(26-21)18-9-3-2-4-10-18/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyPXXVZRPLDPNRIG-UHFFFAOYSA-N
XLogP4.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(2-fluorophenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880618
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
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-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
CID 112880661
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
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
2-N-(2,6-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935652
4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935698
4-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112880609

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine (CID 112880613) is 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(NCC2CCCO2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is PXXVZRPLDPNRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-8-5-6-11-19(17)15-24-21-14-22(25-16-20-12-7-13-28-20)27-23(26-21)18-9-3-2-4-10-18/h2-6,8-11,14,20H,7,12-13,15-16H2,1H3,(H2,24,25,26,27).
What are the key properties of 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine?
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 374.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).