6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine

C19H25N7S — CID 175661324

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C2CCCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C19H25N7S/c1-12-8-17(22-18-9-13(2)24-25-18)23-19(20-12)16-6-4-5-7-26(16)10-15-11-27-14(3)21-15/h8-9,11,16H,4-7,10H2,1-3H3,(H2,20,22,23,24,25)
InChIKeyCTNNXVPQHYBNKE-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.05
Rot. Bonds5

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine (PubChem CID 175661324) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine
PubChem CID175661324
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(C2CCCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C19H25N7S/c1-12-8-17(22-18-9-13(2)24-25-18)23-19(20-12)16-6-4-5-7-26(16)10-15-11-27-14(3)21-15/h8-9,11,16H,4-7,10H2,1-3H3,(H2,20,22,23,24,25)
InChIKeyCTNNXVPQHYBNKE-UHFFFAOYSA-N
XLogP4.05
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine (CID 175661324) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCCCN2Cc2csc(C)n2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine?
The InChIKey is CTNNXVPQHYBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-12-8-17(22-18-9-13(2)24-25-18)23-19(20-12)16-6-4-5-7-26(16)10-15-11-27-14(3)21-15/h8-9,11,16H,4-7,10H2,1-3H3,(H2,20,22,23,24,25).
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine has a molecular weight of 383.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 175661324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).