4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C18H20FN7O — CID 165112374

IUPAC4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCc1cccc(F)c1Nc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C18H20FN7O/c1-3-11-6-5-7-14(19)15(11)24-17-13(16(20)27)9-21-18(25-17)23-12-8-22-26(4-2)10-12/h5-10H,3-4H2,1-2H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyPAAZQPKQXQHHEL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.98
Rot. Bonds7

About 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112374) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112374
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCc1cccc(F)c1Nc1nc(Nc2cnn(CC)c2)ncc1C(N)=O
InChIInChI=1S/C18H20FN7O/c1-3-11-6-5-7-14(19)15(11)24-17-13(16(20)27)9-21-18(25-17)23-12-8-22-26(4-2)10-12/h5-10H,3-4H2,1-2H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyPAAZQPKQXQHHEL-UHFFFAOYSA-N
XLogP2.98
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 90216982
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CID 129626433
CID 129626433
CID 56836188
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CID 58063100
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CID 118475617
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CID 118475621
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CID 118475626
CID 118475626

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112374) is 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CCc1cccc(F)c1Nc1nc(Nc2cnn(CC)c2)ncc1C(N)=O.
What is the InChIKey of 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is PAAZQPKQXQHHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-3-11-6-5-7-14(19)15(11)24-17-13(16(20)27)9-21-18(25-17)23-12-8-22-26(4-2)10-12/h5-10H,3-4H2,1-2H3,(H2,20,27)(H2,21,23,24,25).
What are the key properties of 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-fluoroanilino)-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).