4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine

C15H19FN4O2 — CID 175947842

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N)nc([C@@H](C)F)n2)c(OC)c1
InChIInChI=1S/C15H19FN4O2/c1-9(16)15-19-13(17)7-14(20-15)18-8-10-4-5-11(21-2)6-12(10)22-3/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/t9-/m1/s1
InChIKeyKVZULOYVMFOSEX-SECBINFHSA-N
MW306.34 g/mol
LogP2.72
Rot. Bonds6

About 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine (PubChem CID 175947842) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
PubChem CID175947842
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CNc2cc(N)nc([C@@H](C)F)n2)c(OC)c1
InChIInChI=1S/C15H19FN4O2/c1-9(16)15-19-13(17)7-14(20-15)18-8-10-4-5-11(21-2)6-12(10)22-3/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/t9-/m1/s1
InChIKeyKVZULOYVMFOSEX-SECBINFHSA-N
XLogP2.72
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrimidine-4,6-diamine
CID 170305614
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;pyrimidin-4-amine
CID 159861380
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
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]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine (CID 175947842) is 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine is COc1ccc(CNc2cc(N)nc([C@@H](C)F)n2)c(OC)c1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine?
The InChIKey is KVZULOYVMFOSEX-SECBINFHSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-9(16)15-19-13(17)7-14(20-15)18-8-10-4-5-11(21-2)6-12(10)22-3/h4-7,9H,8H2,1-3H3,(H3,17,18,19,20)/t9-/m1/s1.
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine has a molecular weight of 306.34 g/mol, XLogP of 2.72, 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-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 175947842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).