(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine

C20H21Cl2N5S — CID 139427503

IUPAC(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESN[C@@H]1CCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5S/c21-13-2-1-3-14(17(13)22)28-15-12-25-19(27-11-8-24-18(15)27)26-9-6-20(7-10-26)5-4-16(20)23/h1-3,8,11-12,16H,4-7,9-10,23H2/t16-/m1/s1
InChIKeyTYAPQCTZUGHKCH-MRXNPFEDSA-N
MW434.40 g/mol
LogP4.89
Rot. Bonds3

About (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine

(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine (PubChem CID 139427503) has the molecular formula C20H21Cl2N5S and a molecular weight of 434.40 g/mol. Its IUPAC name is (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine
PubChem CID139427503
Molecular FormulaC20H21Cl2N5S
Molecular Weight434.40 g/mol
Exact Mass433.09
IUPAC Name(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESN[C@@H]1CCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C20H21Cl2N5S/c21-13-2-1-3-14(17(13)22)28-15-12-25-19(27-11-8-24-18(15)27)26-9-6-20(7-10-26)5-4-16(20)23/h1-3,8,11-12,16H,4-7,9-10,23H2/t16-/m1/s1
InChIKeyTYAPQCTZUGHKCH-MRXNPFEDSA-N
XLogP4.89
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine?
The IUPAC name of (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine (CID 139427503) is (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine.
What is the SMILES notation for (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine?
The canonical SMILES for (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine is N[C@@H]1CCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine?
The InChIKey is TYAPQCTZUGHKCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21Cl2N5S/c21-13-2-1-3-14(17(13)22)28-15-12-25-19(27-11-8-24-18(15)27)26-9-6-20(7-10-26)5-4-16(20)23/h1-3,8,11-12,16H,4-7,9-10,23H2/t16-/m1/s1.
What are the key properties of (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine?
(3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 434.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 139427503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).