N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine

C24H31N7S — CID 155560876

IUPACN-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3CN3CCCCC3)n2)ccn1
InChIInChI=1S/C24H31N7S/c1-17-15-19(7-11-26-17)28-24-27-12-8-20(30-24)22-21(16-31-13-3-2-4-14-31)29-23(32-22)18-5-9-25-10-6-18/h7-8,11-12,15,18,25H,2-6,9-10,13-14,16H2,1H3,(H,26,27,28,30)
InChIKeyFFQXXDGMZJDELM-UHFFFAOYSA-N
MW449.63 g/mol
LogP4.50
Rot. Bonds6

About N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine

N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155560876) has the molecular formula C24H31N7S and a molecular weight of 449.63 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155560876
Molecular FormulaC24H31N7S
Molecular Weight449.63 g/mol
Exact Mass449.24
IUPAC NameN-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3CN3CCCCC3)n2)ccn1
InChIInChI=1S/C24H31N7S/c1-17-15-19(7-11-26-17)28-24-27-12-8-20(30-24)22-21(16-31-13-3-2-4-14-31)29-23(32-22)18-5-9-25-10-6-18/h7-8,11-12,15,18,25H,2-6,9-10,13-14,16H2,1H3,(H,26,27,28,30)
InChIKeyFFQXXDGMZJDELM-UHFFFAOYSA-N
XLogP4.50
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155560876) is N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3CN3CCCCC3)n2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is FFQXXDGMZJDELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7S/c1-17-15-19(7-11-26-17)28-24-27-12-8-20(30-24)22-21(16-31-13-3-2-4-14-31)29-23(32-22)18-5-9-25-10-6-18/h7-8,11-12,15,18,25H,2-6,9-10,13-14,16H2,1H3,(H,26,27,28,30).
What are the key properties of N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 449.63 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-4-[2-piperidin-4-yl-4-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155560876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).