2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine

C14H15ClN4O2 — CID 163345881

IUPAC2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCN(c3ncccc3Cl)C2)nc1
InChIInChI=1S/C14H15ClN4O2/c1-20-11-7-17-14(18-8-11)21-10-4-6-19(9-10)13-12(15)3-2-5-16-13/h2-3,5,7-8,10H,4,6,9H2,1H3
InChIKeyZWIDDFUBCORVTH-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.19
Rot. Bonds4

About 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine

2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 163345881) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID163345881
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCN(c3ncccc3Cl)C2)nc1
InChIInChI=1S/C14H15ClN4O2/c1-20-11-7-17-14(18-8-11)21-10-4-6-19(9-10)13-12(15)3-2-5-16-13/h2-3,5,7-8,10H,4,6,9H2,1H3
InChIKeyZWIDDFUBCORVTH-UHFFFAOYSA-N
XLogP2.19
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine (CID 163345881) is 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCN(c3ncccc3Cl)C2)nc1.
What is the InChIKey of 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is ZWIDDFUBCORVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-20-11-7-17-14(18-8-11)21-10-4-6-19(9-10)13-12(15)3-2-5-16-13/h2-3,5,7-8,10H,4,6,9H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 306.75 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 163345881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).