2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine

C10H13Cl2N3 — CID 118943869

IUPAC2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
SMILESC[C@@H]1CCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(7)6-8-5-13-10(12)14-9(8)11/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyXLDIVJWPLDDOJY-SSDOTTSWSA-N
MW246.14 g/mol
LogP2.77
Rot. Bonds2

About 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine

2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 118943869) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
PubChem CID118943869
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
SMILESC[C@@H]1CCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(7)6-8-5-13-10(12)14-9(8)11/h5,7H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyXLDIVJWPLDDOJY-SSDOTTSWSA-N
XLogP2.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163380
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
CID 71639556
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
CID 118943873
tert-butyl N-[[(2S)-1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174287
4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
CID 174210212
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644389
N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
CID 53385527
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
CID 118936843
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine (CID 118943869) is 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine is C[C@@H]1CCCN1Cc1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is XLDIVJWPLDDOJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-7-3-2-4-15(7)6-8-5-13-10(12)14-9(8)11/h5,7H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine?
2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 246.14 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 118943869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).