4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine

C14H20ClN3O — CID 80974516

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCCN1CCCC1
InChIInChI=1S/C14H20ClN3O/c1-10-12(15)16-13(11-4-5-11)17-14(10)19-9-8-18-6-2-3-7-18/h11H,2-9H2,1H3
InChIKeyLZNQEVKAZWFSNP-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.79
Rot. Bonds5

About 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine (PubChem CID 80974516) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
PubChem CID80974516
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCCN1CCCC1
InChIInChI=1S/C14H20ClN3O/c1-10-12(15)16-13(11-4-5-11)17-14(10)19-9-8-18-6-2-3-7-18/h11H,2-9H2,1H3
InChIKeyLZNQEVKAZWFSNP-UHFFFAOYSA-N
XLogP2.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
CID 103177522
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
CID 114470154
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
CID 82004865
5-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyethyl]-4-methyl-1,3-thiazole
CID 80972829
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
[2-cyclopropyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80980380
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80971665
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304
N-ethyl-2,5-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80871549

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine (CID 80974516) is 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine is Cc1c(Cl)nc(C2CC2)nc1OCCN1CCCC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
The InChIKey is LZNQEVKAZWFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-12(15)16-13(11-4-5-11)17-14(10)19-9-8-18-6-2-3-7-18/h11H,2-9H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine has a molecular weight of 281.79 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine is sourced from PubChem (CID 80974516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).