4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine

C14H17FN4O2 — CID 169247534

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N)nc(CF)n2)c(OC)c1
InChIInChI=1S/C14H17FN4O2/c1-20-10-4-3-9(11(5-10)21-2)8-17-13-6-12(16)18-14(7-15)19-13/h3-6H,7-8H2,1-2H3,(H3,16,17,18,19)
InChIKeyNIXCZMFTLPLAED-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.16
Rot. Bonds6

About 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine (PubChem CID 169247534) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
PubChem CID169247534
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N)nc(CF)n2)c(OC)c1
InChIInChI=1S/C14H17FN4O2/c1-20-10-4-3-9(11(5-10)21-2)8-17-13-6-12(16)18-14(7-15)19-13/h3-6H,7-8H2,1-2H3,(H3,16,17,18,19)
InChIKeyNIXCZMFTLPLAED-UHFFFAOYSA-N
XLogP2.16
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrimidine-4,6-diamine
CID 170305614
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
CID 175947842
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-[(2,4-dimethoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 64596075
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine (CID 169247534) is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine is COc1ccc(CNc2cc(N)nc(CF)n2)c(OC)c1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is NIXCZMFTLPLAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-20-10-4-3-9(11(5-10)21-2)8-17-13-6-12(16)18-14(7-15)19-13/h3-6H,7-8H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 169247534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).