5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine

C11H17ClN4O — CID 114049950

IUPAC5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
SMILESCN1CCCCC1COc1ncnc(N)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-16-5-3-2-4-8(16)6-17-11-9(12)10(13)14-7-15-11/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyQCXCHHPXAZKGMH-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.58
Rot. Bonds3

About 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine

5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine (PubChem CID 114049950) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
PubChem CID114049950
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
SMILESCN1CCCCC1COc1ncnc(N)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-16-5-3-2-4-8(16)6-17-11-9(12)10(13)14-7-15-11/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyQCXCHHPXAZKGMH-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80877128
N-ethyl-5-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80876908
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
[6-methyl-2-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 65471691
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine (CID 114049950) is 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine is CN1CCCCC1COc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine?
The InChIKey is QCXCHHPXAZKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16-5-3-2-4-8(16)6-17-11-9(12)10(13)14-7-15-11/h7-8H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine?
5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine has a molecular weight of 256.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 114049950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).