5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine

C11H15BrClN3 — CID 106126066

IUPAC5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
SMILESClC1CCC(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C11H15BrClN3/c12-9-6-15-11(16-7-9)14-5-8-1-3-10(13)4-2-8/h6-8,10H,1-5H2,(H,14,15,16)
InChIKeyYJJYZCOATZXNCA-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine

5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine (PubChem CID 106126066) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
PubChem CID106126066
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC Name5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
SMILESClC1CCC(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C11H15BrClN3/c12-9-6-15-11(16-7-9)14-5-8-1-3-10(13)4-2-8/h6-8,10H,1-5H2,(H,14,15,16)
InChIKeyYJJYZCOATZXNCA-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine
CID 131065097
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
(4S)-4-[[(5-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 122617109
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 106126001
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine (CID 106126066) is 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine is ClC1CCC(CNc2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine?
The InChIKey is YJJYZCOATZXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c12-9-6-15-11(16-7-9)14-5-8-1-3-10(13)4-2-8/h6-8,10H,1-5H2,(H,14,15,16).
What are the key properties of 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine?
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine has a molecular weight of 304.62 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 106126066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).