4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine

C9H11Cl2N3 — CID 59168274

IUPAC4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
SMILESC[C@H]1CCCN1c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c1-6-3-2-4-14(6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyUHXTVYCKHQCPFM-LURJTMIESA-N
MW232.11 g/mol
LogP2.77
Rot. Bonds1

About 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine

4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine (PubChem CID 59168274) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
PubChem CID59168274
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
SMILESC[C@H]1CCCN1c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c1-6-3-2-4-14(6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeyUHXTVYCKHQCPFM-LURJTMIESA-N
XLogP2.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine (CID 59168274) is 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine is C[C@H]1CCCN1c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine?
The InChIKey is UHXTVYCKHQCPFM-LURJTMIESA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-6-3-2-4-14(6)9-12-7(10)5-8(11)13-9/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine?
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine has a molecular weight of 232.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 59168274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).