2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide

C18H23FN4O2 — CID 133476224

IUPAC2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
SMILESCOCc1cc(NC(C(N)=O)c2ccc(F)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H23FN4O2/c1-18(2,3)17-21-13(10-25-4)9-14(23-17)22-15(16(20)24)11-5-7-12(19)8-6-11/h5-9,15H,10H2,1-4H3,(H2,20,24)(H,21,22,23)
InChIKeySWZLIRCMQZICEZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.70
Rot. Bonds6

About 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide

2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide (PubChem CID 133476224) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
PubChem CID133476224
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
SMILESCOCc1cc(NC(C(N)=O)c2ccc(F)cc2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H23FN4O2/c1-18(2,3)17-21-13(10-25-4)9-14(23-17)22-15(16(20)24)11-5-7-12(19)8-6-11/h5-9,15H,10H2,1-4H3,(H2,20,24)(H,21,22,23)
InChIKeySWZLIRCMQZICEZ-UHFFFAOYSA-N
XLogP2.70
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476266
2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412053
N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401186
2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133477462
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-tert-butyl-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 84589502
2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476327
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide (CID 133476224) is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide is COCc1cc(NC(C(N)=O)c2ccc(F)cc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is SWZLIRCMQZICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-18(2,3)17-21-13(10-25-4)9-14(23-17)22-15(16(20)24)11-5-7-12(19)8-6-11/h5-9,15H,10H2,1-4H3,(H2,20,24)(H,21,22,23).
What are the key properties of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide?
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).