2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide

C17H26FN5O2 — CID 166384255

IUPAC2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(C)c1C(=O)N(C)CCNC(=O)C1CCCC(F)C1
InChIInChI=1S/C17H26FN5O2/c1-10-14(11(2)22-17(19)21-10)16(25)23(3)8-7-20-15(24)12-5-4-6-13(18)9-12/h12-13H,4-9H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyHXXZTIZSHSYXAL-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide

2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide (PubChem CID 166384255) has the molecular formula C17H26FN5O2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide
PubChem CID166384255
Molecular FormulaC17H26FN5O2
Molecular Weight351.43 g/mol
Exact Mass351.21
IUPAC Name2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(C)c1C(=O)N(C)CCNC(=O)C1CCCC(F)C1
InChIInChI=1S/C17H26FN5O2/c1-10-14(11(2)22-17(19)21-10)16(25)23(3)8-7-20-15(24)12-5-4-6-13(18)9-12/h12-13H,4-9H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyHXXZTIZSHSYXAL-UHFFFAOYSA-N
XLogP1.39
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide (CID 166384255) is 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide is Cc1nc(N)nc(C)c1C(=O)N(C)CCNC(=O)C1CCCC(F)C1.
What is the InChIKey of 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is HXXZTIZSHSYXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O2/c1-10-14(11(2)22-17(19)21-10)16(25)23(3)8-7-20-15(24)12-5-4-6-13(18)9-12/h12-13H,4-9H2,1-3H3,(H,20,24)(H2,19,21,22).
What are the key properties of 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide?
2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-fluorocyclohexanecarbonyl)amino]ethyl]-N,4,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 166384255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).