2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine

C11H15Cl2N3 — CID 122417179

IUPAC2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
SMILESC[C@H]1CCC[C@@H](Nc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h6-8H,2-5H2,1H3,(H,14,15,16)/t7-,8+/m0/s1
InChIKeyMTSURUWJKBMXEC-JGVFFNPUSA-N
MW260.17 g/mol
LogP3.77
Rot. Bonds2

About 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine

2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine (PubChem CID 122417179) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
PubChem CID122417179
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
SMILESC[C@H]1CCC[C@@H](Nc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h6-8H,2-5H2,1H3,(H,14,15,16)/t7-,8+/m0/s1
InChIKeyMTSURUWJKBMXEC-JGVFFNPUSA-N
XLogP3.77
TPSA37.81 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine (CID 122417179) is 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine is C[C@H]1CCC[C@@H](Nc2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine?
The InChIKey is MTSURUWJKBMXEC-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-7-3-2-4-8(5-7)15-10-9(12)6-14-11(13)16-10/h6-8H,2-5H2,1H3,(H,14,15,16)/t7-,8+/m0/s1.
What are the key properties of 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine?
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine has a molecular weight of 260.17 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 122417179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).