N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride

C19H22Cl2N6S — CID 171688486

About N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride

N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 171688486) has the molecular formula C19H22Cl2N6S and a molecular weight of 437.40 g/mol. Its IUPAC name is N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 171688486
• Molecular Formula: C19H22Cl2N6S
• Molecular Weight: 437.40 g/mol
• Exact Mass: 436.10
• IUPAC Name: N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride
• SMILES: Cc1cc(Nc2ncc(C)s2)nc(C2CCCN2Cc2ccc(Cl)cn2)n1.Cl
• InChI: InChI=1S/C19H21ClN6S.ClH/c1-12-8-17(25-19-22-9-13(2)27-19)24-18(23-12)16-4-3-7-26(16)11-15-6-5-14(20)10-21-15;/h5-6,8-10,16H,3-4,7,11H2,1-2H3,(H,22,23,24,25);1H
• InChIKey: MROJZKBCDYEWSD-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 66.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.40
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride (CID 171688486) is N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1cc(Nc2ncc(C)s2)nc(C2CCCN2Cc2ccc(Cl)cn2)n1.Cl.

What is the InChIKey of N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is MROJZKBCDYEWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6S.ClH/c1-12-8-17(25-19-22-9-13(2)27-19)24-18(23-12)16-4-3-7-26(16)11-15-6-5-14(20)10-21-15;/h5-6,8-10,16H,3-4,7,11H2,1-2H3,(H,22,23,24,25);1H.

What are the key properties of N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride?

N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 437.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 171688486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).