N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H26N4OS — CID 133322669

IUPACN-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CC=CCC3)c2c1C
InChIInChI=1S/C19H26N4OS/c1-13-14(2)25-19-17(13)18(20-15-6-4-3-5-7-15)21-16(22-19)12-23-8-10-24-11-9-23/h3-4,15H,5-12H2,1-2H3,(H,20,21,22)
InChIKeyVPNFPOCMILHALQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.66
Rot. Bonds4

About N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133322669) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133322669
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CC=CCC3)c2c1C
InChIInChI=1S/C19H26N4OS/c1-13-14(2)25-19-17(13)18(20-15-6-4-3-5-7-15)21-16(22-19)12-23-8-10-24-11-9-23/h3-4,15H,5-12H2,1-2H3,(H,20,21,22)
InChIKeyVPNFPOCMILHALQ-UHFFFAOYSA-N
XLogP3.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355
2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 133496407
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31455573
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
5,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133377704
N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074914
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 94094742

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133322669) is N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NC3CC=CCC3)c2c1C.
What is the InChIKey of N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VPNFPOCMILHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-14(2)25-19-17(13)18(20-15-6-4-3-5-7-15)21-16(22-19)12-23-8-10-24-11-9-23/h3-4,15H,5-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133322669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).