4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine

C18H25ClN6O — CID 161200423

IUPAC4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCCOc1ccnc(N2CCCC2)n1.Clc1ccnc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O.C8H10ClN3/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13;9-7-3-4-10-8(11-7)12-5-1-2-6-12/h5-6H,2-4,7-8H2,1H3;3-4H,1-2,5-6H2
InChIKeyUUXCVHGTPZJWSK-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine

4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine (PubChem CID 161200423) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
PubChem CID161200423
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
SMILESCCOc1ccnc(N2CCCC2)n1.Clc1ccnc(N2CCCC2)n1
InChIInChI=1S/C10H15N3O.C8H10ClN3/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13;9-7-3-4-10-8(11-7)12-5-1-2-6-12/h5-6H,2-4,7-8H2,1H3;3-4H,1-2,5-6H2
InChIKeyUUXCVHGTPZJWSK-UHFFFAOYSA-N
XLogP3.21
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
4-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024296
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
CID 103577741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine (CID 161200423) is 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine is CCOc1ccnc(N2CCCC2)n1.Clc1ccnc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is UUXCVHGTPZJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C8H10ClN3/c1-2-14-9-5-6-11-10(12-9)13-7-3-4-8-13;9-7-3-4-10-8(11-7)12-5-1-2-6-12/h5-6H,2-4,7-8H2,1H3;3-4H,1-2,5-6H2.
What are the key properties of 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine?
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 376.89 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 161200423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).