[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine

C19H21Cl2N5S — CID 139427499

IUPAC[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5S/c1-19(12-22)5-8-25(9-6-19)18-24-11-15(17-23-7-10-26(17)18)27-14-4-2-3-13(20)16(14)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3
InChIKeyHHOJUKLSDZNMON-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.75
Rot. Bonds4

About [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine

[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 139427499) has the molecular formula C19H21Cl2N5S and a molecular weight of 422.39 g/mol. Its IUPAC name is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID139427499
Molecular FormulaC19H21Cl2N5S
Molecular Weight422.39 g/mol
Exact Mass421.09
IUPAC Name[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5S/c1-19(12-22)5-8-25(9-6-19)18-24-11-15(17-23-7-10-26(17)18)27-14-4-2-3-13(20)16(14)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3
InChIKeyHHOJUKLSDZNMON-UHFFFAOYSA-N
XLogP4.75
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine (CID 139427499) is [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is HHOJUKLSDZNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5S/c1-19(12-22)5-8-25(9-6-19)18-24-11-15(17-23-7-10-26(17)18)27-14-4-2-3-13(20)16(14)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3.
What are the key properties of [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 422.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 139427499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).