N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C21H33N5S — CID 133315114

IUPACN,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)CC3CCCN(C)C3)c2c1C
InChIInChI=1S/C21H33N5S/c1-15-16(2)27-21-19(15)20(22-18(23-21)14-26-10-5-6-11-26)25(4)13-17-8-7-9-24(3)12-17/h17H,5-14H2,1-4H3
InChIKeyQUWZTSBXVDFXOH-UHFFFAOYSA-N
MW387.60 g/mol
LogP3.68
Rot. Bonds5

About N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133315114) has the molecular formula C21H33N5S and a molecular weight of 387.60 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133315114
Molecular FormulaC21H33N5S
Molecular Weight387.60 g/mol
Exact Mass387.25
IUPAC NameN,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)CC3CCCN(C)C3)c2c1C
InChIInChI=1S/C21H33N5S/c1-15-16(2)27-21-19(15)20(22-18(23-21)14-26-10-5-6-11-26)25(4)13-17-8-7-9-24(3)12-17/h17H,5-14H2,1-4H3
InChIKeyQUWZTSBXVDFXOH-UHFFFAOYSA-N
XLogP3.68
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133315114) is N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCCC3)nc(N(C)CC3CCCN(C)C3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QUWZTSBXVDFXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5S/c1-15-16(2)27-21-19(15)20(22-18(23-21)14-26-10-5-6-11-26)25(4)13-17-8-7-9-24(3)12-17/h17H,5-14H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.60 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133315114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).