5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine

C14H21ClN4O — CID 97119023

IUPAC5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
SMILESCOc1ncc(Cl)c(N2CCC[C@@H](N3CCCC3)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-20-14-16-9-12(15)13(17-14)19-8-4-5-11(10-19)18-6-2-3-7-18/h9,11H,2-8,10H2,1H3/t11-/m1/s1
InChIKeyQTGOKMBBSAJJCS-LLVKDONJSA-N
MW296.80 g/mol
LogP2.20
Rot. Bonds3

About 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine

5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine (PubChem CID 97119023) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
PubChem CID97119023
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
SMILESCOc1ncc(Cl)c(N2CCC[C@@H](N3CCCC3)C2)n1
InChIInChI=1S/C14H21ClN4O/c1-20-14-16-9-12(15)13(17-14)19-8-4-5-11(10-19)18-6-2-3-7-18/h9,11H,2-8,10H2,1H3/t11-/m1/s1
InChIKeyQTGOKMBBSAJJCS-LLVKDONJSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 167788544
5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80828314
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
CID 81210414
(3aR,7aS)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 80758287
trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129447539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine (CID 97119023) is 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine is COc1ncc(Cl)c(N2CCC[C@@H](N3CCCC3)C2)n1.
What is the InChIKey of 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine?
The InChIKey is QTGOKMBBSAJJCS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-20-14-16-9-12(15)13(17-14)19-8-4-5-11(10-19)18-6-2-3-7-18/h9,11H,2-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine?
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine has a molecular weight of 296.80 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 97119023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).