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

C19H25N5S2 — CID 133412955

IUPACN,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)CCc3nccs3)c2c1C
InChIInChI=1S/C19H25N5S2/c1-13-14(2)26-19-17(13)18(23(3)10-6-16-20-7-11-25-16)21-15(22-19)12-24-8-4-5-9-24/h7,11H,4-6,8-10,12H2,1-3H3
InChIKeyBWVCBQKXZFUJJW-UHFFFAOYSA-N
MW387.58 g/mol
LogP4.04
Rot. Bonds6

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

N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133412955) has the molecular formula C19H25N5S2 and a molecular weight of 387.58 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133412955
Molecular FormulaC19H25N5S2
Molecular Weight387.58 g/mol
Exact Mass387.16
IUPAC NameN,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCCC3)nc(N(C)CCc3nccs3)c2c1C
InChIInChI=1S/C19H25N5S2/c1-13-14(2)26-19-17(13)18(23(3)10-6-16-20-7-11-25-16)21-15(22-19)12-24-8-4-5-9-24/h7,11H,4-6,8-10,12H2,1-3H3
InChIKeyBWVCBQKXZFUJJW-UHFFFAOYSA-N
XLogP4.04
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 133412955) is N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCCC3)nc(N(C)CCc3nccs3)c2c1C.
What is the InChIKey of N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BWVCBQKXZFUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5S2/c1-13-14(2)26-19-17(13)18(23(3)10-6-16-20-7-11-25-16)21-15(22-19)12-24-8-4-5-9-24/h7,11H,4-6,8-10,12H2,1-3H3.
What are the key properties of N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.58 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133412955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).