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

C14H16F2N4 — CID 80983059

IUPAC4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-3-12-19-13(17)8(2)14(20-12)18-7-9-4-5-10(15)6-11(9)16/h4-6H,3,7H2,1-2H3,(H3,17,18,19,20)
InChIKeyPXGMVCDYYFEUNI-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.82
Rot. Bonds4

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

4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80983059) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80983059
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-3-12-19-13(17)8(2)14(20-12)18-7-9-4-5-10(15)6-11(9)16/h4-6H,3,7H2,1-2H3,(H3,17,18,19,20)
InChIKeyPXGMVCDYYFEUNI-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 106041480
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
2-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80986232
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
2-ethyl-5-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80985493
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80983059) is 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is PXGMVCDYYFEUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-12-19-13(17)8(2)14(20-12)18-7-9-4-5-10(15)6-11(9)16/h4-6H,3,7H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).