N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C16H22N4OS — CID 9281746

IUPACN-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CC3)c2c1C
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(17-12-3-4-12)18-13(19-16)9-20-5-7-21-8-6-20/h12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyNXIWEOOGQWDWSR-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.71
Rot. Bonds4

About N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9281746) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9281746
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CC3)c2c1C
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(17-12-3-4-12)18-13(19-16)9-20-5-7-21-8-6-20/h12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyNXIWEOOGQWDWSR-UHFFFAOYSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 9281746) is N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NC3CC3)c2c1C.
What is the InChIKey of N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NXIWEOOGQWDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-11(2)22-16-14(10)15(17-12-3-4-12)18-13(19-16)9-20-5-7-21-8-6-20/h12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9281746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).