4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C20H21FN4O2 — CID 112922746

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2cc(C)nc(Nc3ccccc3F)n2)cc1OC
InChIInChI=1S/C20H21FN4O2/c1-13-10-19(22-12-14-8-9-17(26-2)18(11-14)27-3)25-20(23-13)24-16-7-5-4-6-15(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNFAUTICFDQHOFJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.30
Rot. Bonds7

About 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112922746) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112922746
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2cc(C)nc(Nc3ccccc3F)n2)cc1OC
InChIInChI=1S/C20H21FN4O2/c1-13-10-19(22-12-14-8-9-17(26-2)18(11-14)27-3)25-20(23-13)24-16-7-5-4-6-15(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNFAUTICFDQHOFJ-UHFFFAOYSA-N
XLogP4.30
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-chloro-2-methylphenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922752
2-N-(4-chlorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922750
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112922803
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-N-(5-chloro-2-methoxyphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917276
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918506
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918738

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112922746) is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(CNc2cc(C)nc(Nc3ccccc3F)n2)cc1OC.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is NFAUTICFDQHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-10-19(22-12-14-8-9-17(26-2)18(11-14)27-3)25-20(23-13)24-16-7-5-4-6-15(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 368.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112922746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).