cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine

C11H15Cl2N3 — CID 58200957

IUPACcis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H15Cl2N3/c12-8-6-15-11(13)16-10(8)5-7-3-1-2-4-9(7)14/h6-7,9H,1-5,14H2/t7-,9+/m0/s1
InChIKeyZSTMKZCULNJXCN-IONNQARKSA-N
MW260.17 g/mol
LogP2.84
Rot. Bonds2

About cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine

cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 58200957) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID58200957
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Namecis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H15Cl2N3/c12-8-6-15-11(13)16-10(8)5-7-3-1-2-4-9(7)14/h6-7,9H,1-5,14H2/t7-,9+/m0/s1
InChIKeyZSTMKZCULNJXCN-IONNQARKSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine (CID 58200957) is cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl.
What is the InChIKey of cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZSTMKZCULNJXCN-IONNQARKSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c12-8-6-15-11(13)16-10(8)5-7-3-1-2-4-9(7)14/h6-7,9H,1-5,14H2/t7-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 260.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 58200957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).