2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide

C11H15BrN4O — CID 75430633

IUPAC2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C11H15BrN4O/c12-7-5-14-11(15-6-7)16-9-4-2-1-3-8(9)10(13)17/h5-6,8-9H,1-4H2,(H2,13,17)(H,14,15,16)
InChIKeyRLRFPSGPRKMDQH-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.70
Rot. Bonds3

About 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide

2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 75430633) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID75430633
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1Nc1ncc(Br)cn1
InChIInChI=1S/C11H15BrN4O/c12-7-5-14-11(15-6-7)16-9-4-2-1-3-8(9)10(13)17/h5-6,8-9H,1-4H2,(H2,13,17)(H,14,15,16)
InChIKeyRLRFPSGPRKMDQH-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide (CID 75430633) is 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCCCC1Nc1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is RLRFPSGPRKMDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c12-7-5-14-11(15-6-7)16-9-4-2-1-3-8(9)10(13)17/h5-6,8-9H,1-4H2,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide?
2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 75430633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).