2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine

C19H24Cl2N4O — CID 86618536

IUPAC2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3nc(Cl)ncc3C)CC2)ccc1Cl
InChIInChI=1S/C19H24Cl2N4O/c1-3-26-17-10-14(4-5-16(17)20)12-25-8-6-15(7-9-25)23-18-13(2)11-22-19(21)24-18/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,22,23,24)
InChIKeyBGSFALJZTYFEOP-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.57
Rot. Bonds6

About 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine

2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine (PubChem CID 86618536) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine
PubChem CID86618536
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3nc(Cl)ncc3C)CC2)ccc1Cl
InChIInChI=1S/C19H24Cl2N4O/c1-3-26-17-10-14(4-5-16(17)20)12-25-8-6-15(7-9-25)23-18-13(2)11-22-19(21)24-18/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,22,23,24)
InChIKeyBGSFALJZTYFEOP-UHFFFAOYSA-N
XLogP4.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
CID 24855125
N-[1-[(4-amino-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-chloro-5-methoxypyrimidin-4-amine
CID 87286691
6-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 46882226
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
4-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]benzonitrile
CID 24854967
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401908
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
5-chloro-2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-sulfonamide
CID 11848727
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
2,5,6-trichloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 87286721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine (CID 86618536) is 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine is CCOc1cc(CN2CCC(Nc3nc(Cl)ncc3C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine?
The InChIKey is BGSFALJZTYFEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-3-26-17-10-14(4-5-16(17)20)12-25-8-6-15(7-9-25)23-18-13(2)11-22-19(21)24-18/h4-5,10-11,15H,3,6-9,12H2,1-2H3,(H,22,23,24).
What are the key properties of 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine?
2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine has a molecular weight of 395.33 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 86618536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).