6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C21H24N4OS — CID 59276727

IUPAC6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CNC34CC5CC(CC(C5)C3)C4)cc12
InChIInChI=1S/C21H24N4OS/c22-18-16-7-15(27-20(16)25-19(24-18)17-2-1-3-26-17)11-23-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,12-14,23H,4-6,8-11H2,(H2,22,24,25)
InChIKeyUWNLBUFTVUUWEW-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.59
Rot. Bonds4

About 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276727) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276727
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CNC34CC5CC(CC(C5)C3)C4)cc12
InChIInChI=1S/C21H24N4OS/c22-18-16-7-15(27-20(16)25-19(24-18)17-2-1-3-26-17)11-23-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,12-14,23H,4-6,8-11H2,(H2,22,24,25)
InChIKeyUWNLBUFTVUUWEW-UHFFFAOYSA-N
XLogP4.59
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

F1174-1718
CID 704116
6-Benzyl-2-(5-isopropyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274227
2-[5-(Difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45274426
6-Benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 45274431
6-Benzyl-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275517
6-Benzyl-2-(5-ethyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275619
6-[(2-Methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45275715
(+/-)-2-(5-Methyl-furan-2-yl)-6-(1-phenyl-ethyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275719
5-(4-Amino-6-benzyl-thieno[2,3-d]pyrimidin-2-yl)-furan-2-carbonitrile
CID 45275819
2-(5-Methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275823
6-Benzyl-2-(5-cyclopropyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275824
6-[(3,3-Difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278533

Frequently Asked Questions

What is the IUPAC name of 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59276727) is 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccco2)nc2sc(CNC34CC5CC(CC(C5)C3)C4)cc12.
What is the InChIKey of 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UWNLBUFTVUUWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c22-18-16-7-15(27-20(16)25-19(24-18)17-2-1-3-26-17)11-23-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,12-14,23H,4-6,8-11H2,(H2,22,24,25).
What are the key properties of 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 380.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-adamantylamino)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).