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

C19H26N6S — CID 72866512

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1cc2c(N3CCC(N(C)CCc4cnn(C)c4)CC3)ncnc2s1
InChIInChI=1S/C19H26N6S/c1-14-10-17-18(20-13-21-19(17)26-14)25-8-5-16(6-9-25)23(2)7-4-15-11-22-24(3)12-15/h10-13,16H,4-9H2,1-3H3
InChIKeyJXOKKPYJJFHYTE-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.88
Rot. Bonds5

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

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 72866512) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID72866512
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1cc2c(N3CCC(N(C)CCc4cnn(C)c4)CC3)ncnc2s1
InChIInChI=1S/C19H26N6S/c1-14-10-17-18(20-13-21-19(17)26-14)25-8-5-16(6-9-25)23(2)7-4-15-11-22-24(3)12-15/h10-13,16H,4-9H2,1-3H3
InChIKeyJXOKKPYJJFHYTE-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 72866512) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is Cc1cc2c(N3CCC(N(C)CCc4cnn(C)c4)CC3)ncnc2s1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is JXOKKPYJJFHYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-14-10-17-18(20-13-21-19(17)26-14)25-8-5-16(6-9-25)23(2)7-4-15-11-22-24(3)12-15/h10-13,16H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 370.53 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72866512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).