2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C19H16F4N4 — CID 68965607

IUPAC2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccc(F)c(F)c2)nc(N)c1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H16F4N4/c1-10-13(6-11-2-4-14(20)16(22)7-11)18(24)27-19(26-10)25-9-12-3-5-15(21)17(23)8-12/h2-5,7-8H,6,9H2,1H3,(H3,24,25,26,27)
InChIKeyNBYQPPSSMNXSJJ-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.13
Rot. Bonds5

About 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 68965607) has the molecular formula C19H16F4N4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID68965607
Molecular FormulaC19H16F4N4
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccc(F)c(F)c2)nc(N)c1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H16F4N4/c1-10-13(6-11-2-4-14(20)16(22)7-11)18(24)27-19(26-10)25-9-12-3-5-15(21)17(23)8-12/h2-5,7-8H,6,9H2,1H3,(H3,24,25,26,27)
InChIKeyNBYQPPSSMNXSJJ-UHFFFAOYSA-N
XLogP4.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80805540
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340

Frequently Asked Questions

What is the IUPAC name of 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 68965607) is 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(NCc2ccc(F)c(F)c2)nc(N)c1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NBYQPPSSMNXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4/c1-10-13(6-11-2-4-14(20)16(22)7-11)18(24)27-19(26-10)25-9-12-3-5-15(21)17(23)8-12/h2-5,7-8H,6,9H2,1H3,(H3,24,25,26,27).
What are the key properties of 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 376.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-bis[(3,4-difluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 68965607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).