N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C18H24N6S — CID 72841603

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1cc2c(N3CCC(N(C)Cc4cnn(C)c4)CC3)ncnc2s1
InChIInChI=1S/C18H24N6S/c1-13-8-16-17(19-12-20-18(16)25-13)24-6-4-15(5-7-24)22(2)10-14-9-21-23(3)11-14/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyIXTBCVQNBPLRPL-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 72841603) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID72841603
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1cc2c(N3CCC(N(C)Cc4cnn(C)c4)CC3)ncnc2s1
InChIInChI=1S/C18H24N6S/c1-13-8-16-17(19-12-20-18(16)25-13)24-6-4-15(5-7-24)22(2)10-14-9-21-23(3)11-14/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyIXTBCVQNBPLRPL-UHFFFAOYSA-N
XLogP2.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 72841603) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is Cc1cc2c(N3CCC(N(C)Cc4cnn(C)c4)CC3)ncnc2s1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is IXTBCVQNBPLRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-13-8-16-17(19-12-20-18(16)25-13)24-6-4-15(5-7-24)22(2)10-14-9-21-23(3)11-14/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 356.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72841603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).