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

C16H21ClN4O — CID 133332656

IUPAC4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C16H21ClN4O/c1-3-11-4-5-13(22-11)12-8-10(2)6-7-21(12)15-9-14(17)19-16(18)20-15/h4-5,9-10,12H,3,6-8H2,1-2H3,(H2,18,19,20)
InChIKeyJJZOYSUQXMASCM-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.85
Rot. Bonds3

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

4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine (PubChem CID 133332656) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
PubChem CID133332656
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1
InChIInChI=1S/C16H21ClN4O/c1-3-11-4-5-13(22-11)12-8-10(2)6-7-21(12)15-9-14(17)19-16(18)20-15/h4-5,9-10,12H,3,6-8H2,1-2H3,(H2,18,19,20)
InChIKeyJJZOYSUQXMASCM-UHFFFAOYSA-N
XLogP3.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 133332585
5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
CID 133332634
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
CID 98787488
4-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitrobenzenesulfonamide
CID 133332639
2-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitropyridine
CID 96996561
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
4-methyl-6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyrimidine
CID 133332577
1-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 138038114
6-chloro-4-N-cyclopropyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrimidine-2,4-diamine
CID 51119638
6-[4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133392747
ethoxy-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-3-nitro-1H-pyridin-4-ylidene]methanolate
CID 170423261
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine (CID 133332656) is 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine is CCc1ccc(C2CC(C)CCN2c2cc(Cl)nc(N)n2)o1.
What is the InChIKey of 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine?
The InChIKey is JJZOYSUQXMASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-3-11-4-5-13(22-11)12-8-10(2)6-7-21(12)15-9-14(17)19-16(18)20-15/h4-5,9-10,12H,3,6-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine has a molecular weight of 320.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133332656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).