5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine

C10H15ClN4O — CID 106812000

IUPAC5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCCN(c2ncnc(N)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-16-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXGQYCDRMZMVZAO-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.33
Rot. Bonds2

About 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine

5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 106812000) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID106812000
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCCN(c2ncnc(N)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-16-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXGQYCDRMZMVZAO-UHFFFAOYSA-N
XLogP1.33
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
CID 102955766
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyrimidin-4-amine
CID 106811734
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 106812177
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine (CID 106812000) is 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine is COC1CCCN(c2ncnc(N)c2Cl)C1.
What is the InChIKey of 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XGQYCDRMZMVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-16-7-3-2-4-15(5-7)10-8(11)9(12)13-6-14-10/h6-7H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine?
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 242.71 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 106812000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).