2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide

C19H19FN6O — CID 130328123

IUPAC2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESCC(C)(CNc1ncc(-c2nccc(C(N)=O)n2)cn1)c1ccccc1F
InChIInChI=1S/C19H19FN6O/c1-19(2,13-5-3-4-6-14(13)20)11-25-18-23-9-12(10-24-18)17-22-8-7-15(26-17)16(21)27/h3-10H,11H2,1-2H3,(H2,21,27)(H,23,24,25)
InChIKeyNXXZXORZCLFVRA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide

2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide (PubChem CID 130328123) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide
PubChem CID130328123
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide
SMILESCC(C)(CNc1ncc(-c2nccc(C(N)=O)n2)cn1)c1ccccc1F
InChIInChI=1S/C19H19FN6O/c1-19(2,13-5-3-4-6-14(13)20)11-25-18-23-9-12(10-24-18)17-22-8-7-15(26-17)16(21)27/h3-10H,11H2,1-2H3,(H2,21,27)(H,23,24,25)
InChIKeyNXXZXORZCLFVRA-UHFFFAOYSA-N
XLogP2.56
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide (CID 130328123) is 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide is CC(C)(CNc1ncc(-c2nccc(C(N)=O)n2)cn1)c1ccccc1F.
What is the InChIKey of 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide?
The InChIKey is NXXZXORZCLFVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-19(2,13-5-3-4-6-14(13)20)11-25-18-23-9-12(10-24-18)17-22-8-7-15(26-17)16(21)27/h3-10H,11H2,1-2H3,(H2,21,27)(H,23,24,25).
What are the key properties of 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide?
2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 130328123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).