4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine

C15H19ClN4O — CID 133332585

IUPAC4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C15H19ClN4O/c1-9-5-6-20(14-8-13(16)18-15(17)19-14)11(7-9)12-4-3-10(2)21-12/h3-4,8-9,11H,5-7H2,1-2H3,(H2,17,18,19)
InChIKeyLWQMNUJMYVVQHX-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 133332585) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID133332585
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C15H19ClN4O/c1-9-5-6-20(14-8-13(16)18-15(17)19-14)11(7-9)12-4-3-10(2)21-12/h3-4,8-9,11H,5-7H2,1-2H3,(H2,17,18,19)
InChIKeyLWQMNUJMYVVQHX-UHFFFAOYSA-N
XLogP3.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
CID 133332656
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
CID 98787488
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133392747
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133332575
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
4-chloro-6-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 133341659
4-chloro-6-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
CID 95143537
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
4-[(2R)-2-(2-chloro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193610
tert-butyl N-[[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine (CID 133332585) is 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine is Cc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1.
What is the InChIKey of 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is LWQMNUJMYVVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-5-6-20(14-8-13(16)18-15(17)19-14)11(7-9)12-4-3-10(2)21-12/h3-4,8-9,11H,5-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133332585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).